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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
3-bromo-2-(trifluoromethyl)pyridine-4,5,6-d3 3-bromo-2-(trifluoromethyl)pyridine-4,5,6-d3 2768656-27-3 C6BrD3F3N
3,5-dibromo-2-methylpyridine-4,6-d2 3,5-dibromo-2-methylpyridine-4,6-d2 2826916-43-0 C6H3Br2D2N
3-bromo-2-(methyl-d3)pyridin-5,6-d2-4-amine 3-bromo-2-(methyl-d3)pyridin-5,6-d2-4-amine 2697155-88-5 C6H2BrD5N2
2,6-dibromo-3-(methyl-d3)pyridine 2,6-dibromo-3-(methyl-d3)pyridine 2891521-27-8 C6H2Br2D3N
2,5-dibromo-3-methoxypyridine-4,6-d2 2,5-dibromo-3-methoxypyridine-4,6-d2 2826916-95-2 C6H3Br2D2NO
tert-butyl 3-(6-bromopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 tert-butyl 3-(6-bromopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 2768655-71-4 C15H12BrD9N2O2
5-bromo-3-methoxy-2-methylpyridine-4,6-d2 5-bromo-3-methoxy-2-methylpyridine-4,6-d2 2826916-44-1 C7H6BrD2NO
tert-butyl 3-(4-bromopyridin-2-yl-3,5,6-d3)piperidine-1-carboxylate tert-butyl 3-(4-bromopyridin-2-yl-3,5,6-d3)piperidine-1-carboxylate 2768654-66-4 C15H18BrD3N2O2
4-bromo-3-fluoro-2-methylpyridine-5,6-d2 4-bromo-3-fluoro-2-methylpyridine-5,6-d2 2826916-24-7 C6H3BrD2FN
5-bromo-2-(cyclopropyl-d5)pyrimidine-4,6-d2 5-bromo-2-(cyclopropyl-d5)pyrimidine-4,6-d2 2600399-27-5 C7BrD7N2
tert-butyl 4-(6-bromopyridin-2-yl-3,4,5-d3)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 tert-butyl 4-(6-bromopyridin-2-yl-3,4,5-d3)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 2697162-47-1 C15H9BrD12N2O2
3-bromo-2-(fluoromethyl-d2)pyridine 3-bromo-2-(fluoromethyl-d2)pyridine 2891517-44-3 C6H3BrD2FN
4-bromo-2-(methoxy-d2)pyrimidine 4-bromo-2-(methoxy-d2)pyrimidine 2891518-76-4 C5H3BrD2N2O
4,6-dibromo-2-(methyl-d3)pyrimidine-5-d 4,6-dibromo-2-(methyl-d3)pyrimidine-5-d 2600400-75-5 C5Br2D4N2
tert-butyl 4-(4-bromopyridin-2-yl)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 tert-butyl 4-(4-bromopyridin-2-yl)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 2697156-78-6 C15H12BrD9N2O2
3-chloro-6-(methoxy-d2)pyridazine 3-chloro-6-(methoxy-d2)pyridazine 2891518-78-6 C5H3ClD2N2O
2-chloro-6-(methyl-d3)pyridin-3,5-d2-4-amine 2-chloro-6-(methyl-d3)pyridin-3,5-d2-4-amine 2600399-58-2 C6H2ClD5N2
2-bromo-4-(fluoromethyl-d2)pyrimidine 2-bromo-4-(fluoromethyl-d2)pyrimidine 2891518-18-4 C5H2BrD2FN2
2,4-dibromo-3-(trifluoromethyl)pyridine-5,6-d2 2,4-dibromo-3-(trifluoromethyl)pyridine-5,6-d2 2891512-29-9 C6Br2D2F3N
6-methyl-5-(trifluoromethyl)pyridin-2,4-d2-3-ol 6-methyl-5-(trifluoromethyl)pyridin-2,4-d2-3-ol 2891521-05-2 C7H4D2F3NO
5-methyl-6-(trifluoromethyl)pyridin-3,4-d2-2-ol 5-methyl-6-(trifluoromethyl)pyridin-3,4-d2-2-ol 2891511-19-4 C7H4D2F3NO
2-bromo-4-(methyl-d3)-6-(trifluoromethyl)pyridine 2-bromo-4-(methyl-d3)-6-(trifluoromethyl)pyridine 2891511-21-8 C7H2BrD3F3N
3-bromo-2-(methyl-d3)-6-(trifluoromethyl)pyridine-4,5-d2 3-bromo-2-(methyl-d3)-6-(trifluoromethyl)pyridine-4,5-d2 2891518-20-8 C7BrD5F3N
3-(methyl-d3)-6-(trifluoromethyl)pyridin-2-amine 3-(methyl-d3)-6-(trifluoromethyl)pyridin-2-amine 2891517-66-9 C7H4D3F3N2
4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,5,6-d3 4-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyridine-3,5,6-d3 2891512-62-0 C7BrD6F2N
3-bromo-2-(1,1-difluoroethyl)pyridine-4,5,6-d3 3-bromo-2-(1,1-difluoroethyl)pyridine-4,5,6-d3 2891517-33-0 C7H3BrD3F2N
5-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-4,6-d2 5-bromo-2-(1,1-difluoroethyl-2,2,2-d3)pyrimidine-4,6-d2 2891511-33-2 C6BrD5F2N2
methyl-d3 2-(4-bromopyridin-2-yl)acetate methyl-d3 2-(4-bromopyridin-2-yl)acetate 2891517-81-8 C8H5BrD3NO2
tert-butyl 4-(6-bromopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 tert-butyl 4-(6-bromopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 2697156-81-1 C15H9BrD12N2O2
5-bromo-2-(tetrahydro-2H-pyran-4-yl-3,3,4,5,5-d5)pyridine 5-bromo-2-(tetrahydro-2H-pyran-4-yl-3,3,4,5,5-d5)pyridine 2697155-45-4 C10H7BrD5NO
3-bromo-6-(tetrahydro-2H-pyran-4-yl)pyridazine-4,5-d2 3-bromo-6-(tetrahydro-2H-pyran-4-yl)pyridazine-4,5-d2 2697156-38-8 C9H9BrD2N2O
5-bromo-2,4,6-tris(methyl-d3)pyrimidine 5-bromo-2,4,6-tris(methyl-d3)pyrimidine 2697155-74-9 C7BrD9N2
2-(2-bromopropan-2-yl)pyridine-3,4,5,6-d4 2-(2-bromopropan-2-yl)pyridine-3,4,5,6-d4 2697162-90-4 C8H6BrD4N
4-bromo-2-methylpyrimidine-5,6-d2 4-bromo-2-methylpyrimidine-5,6-d2 2697162-60-8 C5H3BrD2N2
5-bromo-2,4-bis(methyl-d3)pyridine-3,6-d2 5-bromo-2,4-bis(methyl-d3)pyridine-3,6-d2 2645412-35-5 C7BrD8N
4-bromo-2-(difluoromethyl-d)-5-(methoxy-d3)pyridine-3,6-d2 4-bromo-2-(difluoromethyl-d)-5-(methoxy-d3)pyridine-3,6-d2 2697162-97-1 C7BrD6F2NO
4-bromo-2-(difluoromethyl-d)-5-(methyl-d3)pyridine-3,6-d2 4-bromo-2-(difluoromethyl-d)-5-(methyl-d3)pyridine-3,6-d2 2697162-70-0 C7BrD6F2N
2-(difluoromethyl)-5-(methoxy-d3)pyridin-4,6-d2-3-ol 2-(difluoromethyl)-5-(methoxy-d3)pyridin-4,6-d2-3-ol 2711075-16-8 C7H2D5F2NO2
2-(6-bromopyridin-2-yl-3,4,5-d3)propan-1,1,1,3,3,3-d6-2-ol 2-(6-bromopyridin-2-yl-3,4,5-d3)propan-1,1,1,3,3,3-d6-2-ol 2363787-93-1 C8HBrD9NO
5-bromo-6-(methyl-d3)pyridin-2-amine 5-bromo-6-(methyl-d3)pyridin-2-amine 2600400-78-8 C6H4BrD3N2
6-bromo-2,8-dimethylimidazo[1,2-b]pyridazine-3,7-d2 6-bromo-2,8-dimethylimidazo[1,2-b]pyridazine-3,7-d2 2645417-00-9 C8H6BrD2N3
6-bromo-2-methyl-8-(methyl-d3)imidazo[1,2-b]pyridazine 6-bromo-2-methyl-8-(methyl-d3)imidazo[1,2-b]pyridazine 2645419-41-4 C8H5BrD3N3
1-(4-bromo-6-fluoropyridin-2-yl-3,5-d2)ethan-1-one-2,2,2-d3 1-(4-bromo-6-fluoropyridin-2-yl-3,5-d2)ethan-1-one-2,2,2-d3 2645416-16-4 C7BrD5FNO
2-aminopyridin-3,5,6-d3-4-ol 2-aminopyridin-3,5,6-d3-4-ol 2645417-13-4 C5H3D3N2O
pyrimidin-4(3H)-one-2,5,6-d3 pyrimidin-4(3H)-one-2,5,6-d3 2645412-69-5 C4HD3N2O
4-bromo-6-(methyl-d3)pyridin-2,5-d2-3-amine 4-bromo-6-(methyl-d3)pyridin-2,5-d2-3-amine 2645413-42-7 C6H2BrD5N2
2,6-bis(methyl-d3)pyridin-4,5-d2-3-amine 2,6-bis(methyl-d3)pyridin-4,5-d2-3-amine 2645412-59-3 C7H2D8N2
2,3-dibromo-6-(methyl-d3)pyridine 2,3-dibromo-6-(methyl-d3)pyridine 2645412-10-6 C6H2Br2D3N
3,5-dibromo-2-(methyl-d3)pyridin-6-d-4-amine 3,5-dibromo-2-(methyl-d3)pyridin-6-d-4-amine 2645416-52-8 C6H2Br2D4N2
3-bromo-2-methyl-5-(trifluoromethyl)pyridine-4,6-d2 3-bromo-2-methyl-5-(trifluoromethyl)pyridine-4,6-d2 2891518-81-1 C7H3BrD2F3N
4-chloro-1H-pyrrolo[2,3-d]pyridazine-2,3,7-d3 4-chloro-1H-pyrrolo[2,3-d]pyridazine-2,3,7-d3 2891521-09-6 C6HClD3N3
5,6-dibromopyridin-2,4-d2-3-ol 5,6-dibromopyridin-2,4-d2-3-ol 2891512-74-4 C5HBr2D2NO
4-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3 4-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3 2891517-41-0 C7HD6N3
5-bromo-1-(methyl-d3)-6-oxo-1,6-dihydropyridine-2-carbonitrile-3,4-d2 5-bromo-1-(methyl-d3)-6-oxo-1,6-dihydropyridine-2-carbonitrile-3,4-d2
2,6-dibromo-3-methylpyridine-4,5-d2 2,6-dibromo-3-methylpyridine-4,5-d2 2891517-87-4 C6H3Br2D2N
4-bromo-2-(methoxy-d2)pyridine 4-bromo-2-(methoxy-d2)pyridine 2891511-10-5 C6H4BrD2NO
2-bromo-5-(methoxy-d2)pyridine-3,4,6-d3 2-bromo-5-(methoxy-d2)pyridine-3,4,6-d3 2891520-90-2 C6HBrD5NO
4-bromo-2-methoxypyrimidine-5,6-d2 4-bromo-2-methoxypyrimidine-5,6-d2 2891520-06-0 C5H3BrD2N2O
3-chloro-6-methoxypyridazine-4,5-d2 3-chloro-6-methoxypyridazine-4,5-d2 2678494-47-6 C5H3ClD2N2O
5-bromo-4-chloro-2-(difluoromethyl-d)pyridine-3,6-d2 5-bromo-4-chloro-2-(difluoromethyl-d)pyridine-3,6-d2 2710298-45-4 C6BrClD3F2N
methyl-d3 6-chloropyridazine-3-carboxylate-4,5-d2 methyl-d3 6-chloropyridazine-3-carboxylate-4,5-d2 2768655-00-9
tert-butyl 4-(2-bromopyridin-4-yl)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 tert-butyl 4-(2-bromopyridin-4-yl)piperazine-1-carboxylate-2,2,3,3,5,5,6,6-d8 2768655-45-2 C14H12BrD8N3O2
tert-butyl 4-(2-bromopyridin-4-yl-3,5,6-d3)piperazine-1-carboxylate tert-butyl 4-(2-bromopyridin-4-yl-3,5,6-d3)piperazine-1-carboxylate 2768657-75-4 C14H17BrD3N3O2
tert-butyl 3-(6-aminopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate tert-butyl 3-(6-aminopyridin-3-yl-2,4,5-d3)piperidine-1-carboxylate 2768654-91-5 C15H20D3N3O2
tert-butyl 3-(5-aminopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 tert-butyl 3-(5-aminopyridin-3-yl)piperidine-1-carboxylate-2,2,3,4,4,5,5,6,6-d9 2768657-45-8 C15H14D9N3O2
tert-butyl 4-(2-aminopyridin-4-yl)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 tert-butyl 4-(2-aminopyridin-4-yl)piperidine-1-carboxylate-2,2,3,3,4,5,5,6,6-d9 2768655-99-6 C15H14D9N3O2
2-chloro-5-fluoro-4-(methyl-d3)pyridine-3,6-d2 2-chloro-5-fluoro-4-(methyl-d3)pyridine-3,6-d2 2768654-81-3 C6ClD5FN
3-bromo-5-(methyl-d3)pyridin-2-amine 3-bromo-5-(methyl-d3)pyridin-2-amine 2256740-05-1 C6H4BrD3N2
2-aminopyridin-4,5,6-d3-3-ol 2-aminopyridin-4,5,6-d3-3-ol 2768657-65-2 C5H3D3N2O
2-chloro-5-fluoro-4-iodopyridine-3,6-d2 2-chloro-5-fluoro-4-iodopyridine-3,6-d2 2768654-70-0 C5ClD2FIN
3,4-dichloro-2-fluoropyridine-5,6-d2 3,4-dichloro-2-fluoropyridine-5,6-d2 2768656-19-3 C5Cl2D2FN
3,5-bis(methyl-d3)pyridin-4-amine 3,5-bis(methyl-d3)pyridin-4-amine 2645412-30-0 C7H4D6N2
2-bromo-6-((1-(methyl-d3)azetidin-3-yl-2,2,3,4,4-d5)oxy)pyridine-3,4,5-d3 2-bromo-6-((1-(methyl-d3)azetidin-3-yl-2,2,3,4,4-d5)oxy)pyridine-3,4,5-d3 2645411-87-4 C9BrD11N2O
2-bromo-6-(2-methoxyethoxy)pyridine-3,4,5-d3 2-bromo-6-(2-methoxyethoxy)pyridine-3,4,5-d3 2645418-80-8 C8H7BrD3NO2
2-bromo-4-(2-(methoxy-d3)ethoxy-1,1,2,2-d4)pyridine 2-bromo-4-(2-(methoxy-d3)ethoxy-1,1,2,2-d4)pyridine 2645419-30-1 C8H3BrD7NO2
2-bromo-5-((methoxy-d3)methyl-d2)pyridine 2-bromo-5-((methoxy-d3)methyl-d2)pyridine 2645418-91-1 C7H3BrD5NO
3-bromo-5-(methoxymethyl)pyridine-2,4,6-d3 3-bromo-5-(methoxymethyl)pyridine-2,4,6-d3 2645415-55-8 C7H5BrD3NO
5-bromo-2-((methoxy-d3)methyl-d2)pyrimidine 5-bromo-2-((methoxy-d3)methyl-d2)pyrimidine 2645416-68-6 C6H2BrD5N2O
6-((methoxy-d3)methyl-d2)pyridin-3-amine 6-((methoxy-d3)methyl-d2)pyridin-3-amine 2645420-03-5 C7H5D5N2O
3-fluoro-4-(methyl-d3)pyridin-5,6-d2-2-amine 3-fluoro-4-(methyl-d3)pyridin-5,6-d2-2-amine 2645412-28-6 C6H2D5FN2
4-(methyl-d3)pyridin-2,5,6-d3-3-amine 4-(methyl-d3)pyridin-2,5,6-d3-3-amine 2645418-90-0 C6H2D6N2
2-isopropyl-4-methylpyridin-5,6-d2-3-amine 2-isopropyl-4-methylpyridin-5,6-d2-3-amine 2645416-66-4 C9H12D2N2
4-bromo-2-methylpyridine-3,5,6-d3 4-bromo-2-methylpyridine-3,5,6-d3 2645412-36-6 C6H3BrD3N
5-bromo-2-methylpyridine-3,4,6-d3 5-bromo-2-methylpyridine-3,4,6-d3 2645419-50-5 C6H3BrD3N
6-methylpyridin-2,4,5-d3-3-ol 6-methylpyridin-2,4,5-d3-3-ol 2645411-94-3 C6H4D3NO
4-methylpyridin-2,5,6-d3-3-ol 4-methylpyridin-2,5,6-d3-3-ol 2645415-83-2 C6H4D3NO
5-bromo-N-(methyl-d3)pyridin-2,4,6-d3-3-amine 5-bromo-N-(methyl-d3)pyridin-2,4,6-d3-3-amine 2645412-14-0 C6HBrD6N2
2-bromo-4-fluoro-6-methylpyridine-3,5-d2 2-bromo-4-fluoro-6-methylpyridine-3,5-d2 2645415-97-8 C6H3BrD2FN
1-benzyl-4-bromo-1,2,3,6-tetrahydropyridine-3,3,5-d3 1-benzyl-4-bromo-1,2,3,6-tetrahydropyridine-3,3,5-d3
2-bromo-5-fluoropyridine-3,4-d2 2-bromo-5-fluoropyridine-3,4-d2
4-bromo-3-fluoropyridine-2,5-d2 4-bromo-3-fluoropyridine-2,5-d2
pyridin-2(1H)-one-3,4,6-d3 pyridin-2(1H)-one-3,4,6-d3
3-bromopyridine-4,5,6-d3 3-bromopyridine-4,5,6-d3
pyridin-2,3,5-d3-4-ol pyridin-2,3,5-d3-4-ol
2-bromopyrimidine-4,6-d2 2-bromopyrimidine-4,6-d2
5-bromopyrimidine-4,6-d2 5-bromopyrimidine-4,6-d2
6-chloro-8-(methyl-d3)imidazo[1,2-b]pyridazine-2,3,7-d3 6-chloro-8-(methyl-d3)imidazo[1,2-b]pyridazine-2,3,7-d3
3-bromo-2-fluoro-5-methoxypyridine-4,6-d2 3-bromo-2-fluoro-5-methoxypyridine-4,6-d2
3-bromo-1H-pyrazolo[4,3-b]pyridine-5,6,7-d3 3-bromo-1H-pyrazolo[4,3-b]pyridine-5,6,7-d3
4-chloro-2-methylpyrimidine-5,6-d2 4-chloro-2-methylpyrimidine-5,6-d2
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