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複素環(huán)式化合物

複素環(huán)式化合物は炭素原子と非炭素原子により構(gòu)成される環(huán)狀構(gòu)造の化合物である。これらの非炭素原子はヘテロ原子と総稱され，一般的なヘテロ原子は窒素、酸素、硫黃等である。前述したラクトン、ラクタム、環(huán)狀エーテル等の化合物はいずれも複素環(huán)式化合物であり，しかしこれらの化合物の性質(zhì)は同じ種類の鎖式化合物と類似するため，いずれも対応する章節(jié)に組み込んで説明する。本章は主に環(huán)構(gòu)造が穏やかで、ある程度の芳香族性を有する複素環(huán)式化合物，即ち芳香族複素環(huán)式化合物を説明する。 複素環(huán)式化合物は種類が膨大であり，數(shù)量が多く，自然界に広く分布しており，多くの天然の複素環(huán)式化合物は動物、植物の體內(nèi)で重要な生理學(xué)的作用を果たす。例えば：植物內(nèi)のクロロフィル、動物の血中ヘモグロビン、漢方薬中の有効成分のアルカロイドと一部の配糖體、一部の抗生物質(zhì)とビタミン、タンパク質(zhì)のあるアミノ酸とヌクレオチドを構(gòu)成する塩基等はいずれも複素環(huán)構(gòu)造を含有する。従來の薬物中で、複素環(huán)構(gòu)造を含有するものは約半分を占める。そのため，複素環(huán)式化合物は有機(jī)化合物（特に有機(jī)薬物）中で重要な地位を占める。 複素環(huán)式化合物中で五員、六員複素環(huán)及びそれらの縮合複素環(huán)化合物は最も普及しており，かつ最も重要である。そのため環(huán)のサイズによって，複素環(huán)式化合物は五員複素環(huán)及び六員複素環(huán)という二つの種類に分けられる。例えば上記フラン、チオフェン、ピロール、オキサゾール、イミダゾール及びそれらの縮合複素環(huán)化合物のインドール、ベンゾイミダゾール、ジベンゾフラン等はいずれも五員複素環(huán)式化合物であり，それに対してピリジン、ピリミジン及びそれらの縮合複素環(huán)化合物のキノリン、キナゾリン等はいずれも六員複素環(huán)式化合物である。 各五員複素環(huán)式化合物と六員複素環(huán)式化合物中で，環(huán)構(gòu)造中のヘテロ原子の數(shù)量によって，また一つのヘテロ原子を含有する複素環(huán)及び二つ又はそれ以上のヘテロ原子を含有する複素環(huán)に分けられる。例えばフラン、チオフェン、ピリジン、インドール、キノリン、ジベンゾフラン等は一つのヘテロ原子を含有する複素環(huán)式化合物である；イミダゾール、ピリミジン、ベンゾイミダゾール、キナゾリン等は二つのヘテロ原子を含有する複素環(huán)式化合物である；それに対してプリンは二つ以上のヘテロ原子を含有するため，即ち複數(shù)のヘテロ原子を含有する複素環(huán)式化合物である。分子中の環(huán)構(gòu)造の形式によって，複素環(huán)式化合物はさらに複素単環(huán)及び縮合複素環(huán)という二つの種類に分けられる。例えばフラン、ピリジン、ピリミジン、イミダゾール等はいずれも複素単環(huán)式化合物であり，インドール、キノリン、ジベンゾフラン、プリン等は縮合複素環(huán)式化合物である。
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Structure Chemical Name CAS MF
2-(difluoromethyl-d)-5-(methoxy-d3)pyridin-4,6-d2-3-ol 2-(difluoromethyl-d)-5-(methoxy-d3)pyridin-4,6-d2-3-ol 2711075-14-6 C7HD6F2NO2
2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-5,5,6,6,8,8-d6 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-5,5,6,6,8,8-d6
3,5-dibromo-4-(methyl-d3)pyridine 3,5-dibromo-4-(methyl-d3)pyridine
6-chloro-N-(methyl-d3)pyridazine-3-carboxamide 6-chloro-N-(methyl-d3)pyridazine-3-carboxamide 2826916-79-2 C6H3ClD3N3O
1-benzyl-1,2,3,6-tetrahydropyridin-4-yl-3,3,5-d3 diphenyl phosphate 1-benzyl-1,2,3,6-tetrahydropyridin-4-yl-3,3,5-d3 diphenyl phosphate
5-chloro-N-methylpyrimidine-4,6-d2-2-carboxamide 5-chloro-N-methylpyrimidine-4,6-d2-2-carboxamide 2826917-27-3 C6H4ClD2N3O
3-bromo-6-(methyl-d3)-2-(trifluoromethyl)pyridine-4,5-d2 3-bromo-6-(methyl-d3)-2-(trifluoromethyl)pyridine-4,5-d2 2826917-29-5 C7BrD5F3N
3-bromo-4-chloro-2-(difluoromethyl-d)pyridine-5,6-d2 3-bromo-4-chloro-2-(difluoromethyl-d)pyridine-5,6-d2 2710298-43-2 C6BrClD3F2N
2-bromo-6-(fluoromethyl-d2)pyridine-3,4,5-d3 2-bromo-6-(fluoromethyl-d2)pyridine-3,4,5-d3 2891518-34-4 C6BrD5FN
2-(difluoromethyl)-5-fluoropyridine-3,4,6-d3 2-(difluoromethyl)-5-fluoropyridine-3,4,6-d3 2710298-48-7 C6HD3F3N
4-bromo-2-(methyl-d3)-1H-pyrrolo[2,3-b]pyridine-3,5,6-d3 4-bromo-2-(methyl-d3)-1H-pyrrolo[2,3-b]pyridine-3,5,6-d3 2891518-36-6 C8HBrD6N2
5-bromo-2-chloro-4-(methyl-d3)pyrimidine-6-d 5-bromo-2-chloro-4-(methyl-d3)pyrimidine-6-d 2826916-93-0 C5BrClD4N2
4-bromo-2-(fluoromethyl-d2)pyrimidine 4-bromo-2-(fluoromethyl-d2)pyrimidine 2891520-71-9 C5H2BrD2FN2
3-bromo-5-fluoropyridine-2,4-d2 3-bromo-5-fluoropyridine-2,4-d2
3-bromo-6-(fluoromethyl-d2)pyridazine-4,5-d2 3-bromo-6-(fluoromethyl-d2)pyridazine-4,5-d2 2891520-66-2 C5BrD4FN2
6-(methyl-d3)-5-(trifluoromethyl)pyridin-2,4-d2-3-ol 6-(methyl-d3)-5-(trifluoromethyl)pyridin-2,4-d2-3-ol 2891511-72-9 C7HD5F3NO
2-bromo-3-fluoropyridine-4,6-d2 2-bromo-3-fluoropyridine-4,6-d2
3-bromo-6-fluoro-2-(methoxy-d3)pyridine 3-bromo-6-fluoro-2-(methoxy-d3)pyridine 2891520-28-6 C6H2BrD3FNO
4-bromo-2-(methoxy-d3)-5-methylpyridine-3,6-d2 4-bromo-2-(methoxy-d3)-5-methylpyridine-3,6-d2 2826916-69-0 C7H3BrD5NO
2,5-dibromo-3-(methoxy-d3)pyridine-4,6-d2 2,5-dibromo-3-(methoxy-d3)pyridine-4,6-d2 2826917-05-7 C6Br2D5NO
5-methoxy-6-methylpyridin-2,4-d2-3-ol 5-methoxy-6-methylpyridin-2,4-d2-3-ol 2826916-45-2 C7H7D2NO2
4,6-dibromo-N-(methyl-d3)pyridazine-5-d-3-carboxamide 4,6-dibromo-N-(methyl-d3)pyridazine-5-d-3-carboxamide 2826916-73-6 C6HBr2D4N3O
3-bromo-2-(fluoromethyl-d2)pyridine-4,5,6-d3 3-bromo-2-(fluoromethyl-d2)pyridine-4,5,6-d3 2891521-02-9 C6BrD5FN
4-bromo-2-(difluoromethyl)pyridine-3,5,6-d3 4-bromo-2-(difluoromethyl)pyridine-3,5,6-d3 2768657-60-7
tert-butyl 4-(5-bromopyridin-3-yl-2,4,6-d3)piperazine-1-carboxylate tert-butyl 4-(5-bromopyridin-3-yl-2,4,6-d3)piperazine-1-carboxylate 2768655-03-2 C14H17BrD3N3O2
tert-butyl 3-(6-bromopyridin-2-yl-3,4,5-d3)piperidine-1-carboxylate tert-butyl 3-(6-bromopyridin-2-yl-3,4,5-d3)piperidine-1-carboxylate 2768657-76-5 C15H18BrD3N2O2
pyridin-2(1H)-one-4,5,6-d3 pyridin-2(1H)-one-4,5,6-d3
pyridin-2,4,5-d3-3-amine pyridin-2,4,5-d3-3-amine
pyridin-2,3,6-d3-4-ol pyridin-2,3,6-d3-4-ol
2-bromopyrimidine-4,5-d2 2-bromopyrimidine-4,5-d2
pyrimidin-4,6-d2-5-amine pyrimidin-4,6-d2-5-amine
2-bromo-6-(tert-butyl)pyridine-3,4,5-d3 2-bromo-6-(tert-butyl)pyridine-3,4,5-d3
5-bromo-3-iodo-1H-pyrazolo[3,4-c]pyridine-4,7-d2 5-bromo-3-iodo-1H-pyrazolo[3,4-c]pyridine-4,7-d2
6-bromo-2-(methyl-d3)-3-(trifluoromethyl)pyridine 6-bromo-2-(methyl-d3)-3-(trifluoromethyl)pyridine 2891510-95-3 C7H2BrD3F3N
5-(methyl-d3)-6-(trifluoromethyl)pyridin-3,4-d2-2-ol 5-(methyl-d3)-6-(trifluoromethyl)pyridin-3,4-d2-2-ol 2891511-73-0 C7HD5F3NO
2-bromo-4-methyl-6-(trifluoromethyl)pyridine-3,5-d2 2-bromo-4-methyl-6-(trifluoromethyl)pyridine-3,5-d2 2891517-63-6 C7H3BrD2F3N
3-methyl-6-(trifluoromethyl)pyridin-4,5-d2-2-amine 3-methyl-6-(trifluoromethyl)pyridin-4,5-d2-2-amine 2891512-47-1 C7H5D2F3N2
2-bromo-6-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,4,5-d3 2-bromo-6-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,4,5-d3 2891511-42-3 C7BrD6F2N
3-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-4,5,6-d3 3-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-4,5,6-d3 2891519-81-4 C7BrD6F2N
3-bromo-5-(1-(methyl-d3)pyrrolidin-2-yl-2,3,3,4,4,5,5-d7)pyridine-2,4,6-d3 3-bromo-5-(1-(methyl-d3)pyrrolidin-2-yl-2,3,3,4,4,5,5-d7)pyridine-2,4,6-d3
2-(methyl-d)pyridine-6-d 2-(methyl-d)pyridine-6-d
4-chloro-3-(methyl-d3)pyridine-2,5,6-d3 4-chloro-3-(methyl-d3)pyridine-2,5,6-d3
2-bromo-4-fluoro-3-(methyl-d3)pyridine-5,6-d2 2-bromo-4-fluoro-3-(methyl-d3)pyridine-5,6-d2
5-(methyl-d3)-2-(trifluoromethyl)pyridin-4-ol 5-(methyl-d3)-2-(trifluoromethyl)pyridin-4-ol
4-fluoro-3-iodo-2-(methyl-d3)pyridine 4-fluoro-3-iodo-2-(methyl-d3)pyridine
2-bromopyridin-3,5,6-d3-4-ol 2-bromopyridin-3,5,6-d3-4-ol 2241872-48-8 C5HBrD3NO
5-bromopyridin-3,4,6-d3-2-ol 5-bromopyridin-3,4,6-d3-2-ol 2241872-50-2 C5HBrD3NO
5-bromo-2-(3-(methyl-d3)-1H-pyrazol-1-yl-4,5-d2)pyridine-3,4,6-d3 5-bromo-2-(3-(methyl-d3)-1H-pyrazol-1-yl-4,5-d2)pyridine-3,4,6-d3 2256742-47-7 C9BrD8N3
4-bromo-2-(methyl-d3)-3-(trifluoromethyl)pyridine 4-bromo-2-(methyl-d3)-3-(trifluoromethyl)pyridine 2891521-22-3 C7H2BrD3F3N
5-bromo-2-methyl-3-(trifluoromethyl)pyridine-4,6-d2 5-bromo-2-methyl-3-(trifluoromethyl)pyridine-4,6-d2 2891511-08-1 C7H3BrD2F3N
6-(methyl-d3)-5-(trifluoromethyl)pyridin-2-amine 6-(methyl-d3)-5-(trifluoromethyl)pyridin-2-amine 2891520-78-6 C7H4D3F3N2
6-bromo-3-methyl-2-(trifluoromethyl)pyridine-4,5-d2 6-bromo-3-methyl-2-(trifluoromethyl)pyridine-4,5-d2 2891521-08-5 C7H3BrD2F3N
4-methyl-6-(trifluoromethyl)pyridin-3,5-d2-2-amine 4-methyl-6-(trifluoromethyl)pyridin-3,5-d2-2-amine 2891518-39-9 C7H5D2F3N2
2-bromo-3-(methyl-d3)-6-(trifluoromethyl)pyridine 2-bromo-3-(methyl-d3)-6-(trifluoromethyl)pyridine 2891511-22-9 C7H2BrD3F3N
4-bromo-2-(fluoromethyl-d2)pyridine 4-bromo-2-(fluoromethyl-d2)pyridine 2891518-16-2 C6H3BrD2FN
2-bromo-4-(fluoromethyl-d2)pyrimidine-5,6-d2 2-bromo-4-(fluoromethyl-d2)pyrimidine-5,6-d2 2891510-92-0 C5BrD4FN2
4-bromo-1H-pyrrolo[2,3-b]pyridine-2,3,5,6-d4 4-bromo-1H-pyrrolo[2,3-b]pyridine-2,3,5,6-d4 2891521-04-1 C7HBrD4N2
6-(methyl-d3)-5-(trifluoromethyl)pyridin-3-amine 6-(methyl-d3)-5-(trifluoromethyl)pyridin-3-amine 2891517-68-1 C7H4D3F3N2
6-bromo-2-methyl-3-(trifluoromethyl)pyridine-4,5-d2 6-bromo-2-methyl-3-(trifluoromethyl)pyridine-4,5-d2 2891521-06-3 C7H3BrD2F3N
5-(methyl-d3)-6-(trifluoromethyl)pyridin-2-amine 5-(methyl-d3)-6-(trifluoromethyl)pyridin-2-amine 2891512-40-4 C7H4D3F3N2
2-bromo-4-(methyl-d3)-6-(trifluoromethyl)pyridine-3,5-d2 2-bromo-4-(methyl-d3)-6-(trifluoromethyl)pyridine-3,5-d2 2891512-41-5 C7BrD5F3N
3-(methyl-d3)-6-(trifluoromethyl)pyridin-4,5-d2-2-amine 3-(methyl-d3)-6-(trifluoromethyl)pyridin-4,5-d2-2-amine 2891520-80-0 C7H2D5F3N2
5-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,4,6-d3 5-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,4,6-d3 2891517-77-2 C7BrD6F2N
4-bromo-3-(1,1-difluoroethyl)pyridine-2,5,6-d3 4-bromo-3-(1,1-difluoroethyl)pyridine-2,5,6-d3 2891512-65-3 C7H3BrD3F2N
4-bromo-3-(1,1-difluoroethyl-2,2,2-d3)pyridine 4-bromo-3-(1,1-difluoroethyl-2,2,2-d3)pyridine 2891517-37-4 C7H3BrD3F2N
methyl-d3 2-(4-bromopyridin-2-yl-3,5,6-d3)acetate-d2 methyl-d3 2-(4-bromopyridin-2-yl-3,5,6-d3)acetate-d2 2891511-35-4 C8BrD8NO2
tert-butyl 3-(4-aminopyridin-2-yl-3,5,6-d3)piperidine-1-carboxylate tert-butyl 3-(4-aminopyridin-2-yl-3,5,6-d3)piperidine-1-carboxylate 2768654-56-2 C15H20D3N3O2
tert-butyl 3-(6-aminopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 tert-butyl 3-(6-aminopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 2768654-71-1 C15H11D12N3O2
tert-butyl 3-(6-aminopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 tert-butyl 3-(6-aminopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 2768657-31-2 C15H14D9N3O2
3-bromo-2,4-dimethylpyridine-5,6-d2 3-bromo-2,4-dimethylpyridine-5,6-d2 2768657-33-4 C7H6BrD2N
5-bromo-4-(methyl-d3)pyridin-3,6-d2-2-amine 5-bromo-4-(methyl-d3)pyridin-3,6-d2-2-amine 2256740-08-4 C6H2BrD5N2
4-bromo-2-fluoro-5-(methyl-d3)pyridine-3,6-d2 4-bromo-2-fluoro-5-(methyl-d3)pyridine-3,6-d2 2256740-18-6 C6BrD5FN
3-bromo-2-methyl-4-(methyl-d3)pyridine 3-bromo-2-methyl-4-(methyl-d3)pyridine 2768655-86-1 C7H5BrD3N
3-bromo-1H-pyrazolo[3,4-d]pyrimidine-4,6-d2 3-bromo-1H-pyrazolo[3,4-d]pyrimidine-4,6-d2
4-chloro-2-(methyl-13C-d3)pyrimidine 4-chloro-2-(methyl-13C-d3)pyrimidine 1227959-31-0 C5H5ClN2
4-(methyl-d3)pyrimidin-2,6-d2-5-amine 4-(methyl-d3)pyrimidin-2,6-d2-5-amine
5-fluoropyridin-2(1H)-one-3,4,6-d3 5-fluoropyridin-2(1H)-one-3,4,6-d3
4-bromo-2-(1,1-difluoroethyl)pyrimidine-5,6-d2 4-bromo-2-(1,1-difluoroethyl)pyrimidine-5,6-d2 2891511-46-7 C6H3BrD2F2N2
methyl-d3 2-(4-bromopyridin-2-yl)acetate-d2 methyl-d3 2-(4-bromopyridin-2-yl)acetate-d2 2891512-77-7 C8H3BrD5NO2
2,6-dibromo-3-(methyl-d3)pyridine-4,5-d2 2,6-dibromo-3-(methyl-d3)pyridine-4,5-d2 2891517-96-5 C6Br2D5N
5-bromo-2-(methoxy-d2)pyridine 5-bromo-2-(methoxy-d2)pyridine 2891518-67-3 C6H4BrD2NO
3-bromo-4-(methoxy-d2)pyridine 3-bromo-4-(methoxy-d2)pyridine 2891517-55-6 C6H4BrD2NO
3-bromo-6-(3-(methyl-d3)-1H-pyrazol-1-yl-4,5-d2)pyridazine-4,5-d2 3-bromo-6-(3-(methyl-d3)-1H-pyrazol-1-yl-4,5-d2)pyridazine-4,5-d2 2256742-63-7 C8BrD7N4
2-bromo-5-(3-bromo-1H-pyrazol-1-yl-4,5-d2)pyridine-3,4,6-d3 2-bromo-5-(3-bromo-1H-pyrazol-1-yl-4,5-d2)pyridine-3,4,6-d3 2256742-83-1 C8Br2D5N3
4-(3-bromo-1H-pyrazol-1-yl-4,5-d2)pyridine 4-(3-bromo-1H-pyrazol-1-yl-4,5-d2)pyridine 2256743-26-5 C8H4BrD2N3
3-(4-bromo-1H-imidazol-1-yl-2,5-d2)-2-(methyl-d3)pyridine-4,5,6-d3 3-(4-bromo-1H-imidazol-1-yl-2,5-d2)-2-(methyl-d3)pyridine-4,5,6-d3 2256743-44-7 C9BrD8N3
2-(4-bromo-1H-imidazol-1-yl-2,5-d2)-4-(methyl-d3)pyridine-3,5,6-d3 2-(4-bromo-1H-imidazol-1-yl-2,5-d2)-4-(methyl-d3)pyridine-3,5,6-d3 2256743-48-1 C9BrD8N3
2-bromo-4-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyrimidine 2-bromo-4-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyrimidine 2256743-62-9 C8H2BrD5N4
5-bromo-2-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyrimidine-4,6-d2 5-bromo-2-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyrimidine-4,6-d2 2256743-67-4 C8BrD7N4
2-(4-bromo-1H-pyrazol-1-yl-3,5-d2)pyrimidin-4-amine 2-(4-bromo-1H-pyrazol-1-yl-3,5-d2)pyrimidin-4-amine 2256743-82-3 C7H4BrD2N5
4-(4-bromo-1H-imidazol-1-yl-2,5-d2)pyrimidin-2-amine 4-(4-bromo-1H-imidazol-1-yl-2,5-d2)pyrimidin-2-amine 2256743-94-7 C7H4BrD2N5
3-bromo-6-(4-bromo-1H-imidazol-1-yl-2,5-d2)pyridazine 3-bromo-6-(4-bromo-1H-imidazol-1-yl-2,5-d2)pyridazine 2256744-09-7 C7H2Br2D2N4
3-bromo-6-(4-(methyl-d3)-1H-imidazol-1-yl-2,5-d2)pyridazine-4,5-d2 3-bromo-6-(4-(methyl-d3)-1H-imidazol-1-yl-2,5-d2)pyridazine-4,5-d2 2256744-14-4 C8BrD7N4
4-bromo-2-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyridine 4-bromo-2-(4-(methyl-d3)-1H-pyrazol-1-yl-3,5-d2)pyridine 2256744-49-5 C9H3BrD5N3
4-bromo-2-(1,1-difluoroethyl)pyridine-3,5,6-d3 4-bromo-2-(1,1-difluoroethyl)pyridine-3,5,6-d3 2891520-86-6 C7H3BrD3F2N
3-bromo-5-(1,1-difluoroethyl-2,2,2-d3)pyridine-2,4,6-d3 3-bromo-5-(1,1-difluoroethyl-2,2,2-d3)pyridine-2,4,6-d3 2891511-79-6 C7BrD6F2N
4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2 4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-5,6-d2 2891517-88-5 C6BrD5F2N2
2-bromo-4-(1,1-difluoroethyl)pyrimidine-5,6-d2 2-bromo-4-(1,1-difluoroethyl)pyrimidine-5,6-d2 2891512-36-8 C6H3BrD2F2N2
6-bromo-5-methylpyridin-3,4-d2-2-amine 6-bromo-5-methylpyridin-3,4-d2-2-amine 2891512-86-8 C6H5BrD2N2
2-bromo-6-methoxypyridine-3,4,5-d3 2-bromo-6-methoxypyridine-3,4,5-d3 2610635-37-3 C6H3BrD3NO
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