ChemicalBook >?? ???? >1,2,3,4-???????-??[b]???-5-?

1,2,3,4-???????-??[b]???-5-?

1,2,3,4-???????-??[b]???-5-? ??? ???

?? ??:: 1127-74-8

???:: 1,2,3,4-???????-??[b]???-5-?

???(??):: 1,2,3,4-???????-??[b]???-5-?

???:: 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one

???(??):: 1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one;1,2,3,4-Tetrahydro-1-benzazepin-5-one;Tovaptan impurity 13;1,2,3,4-Tetrahydrobenzoazepine-5-one;5-oxo-2,3,4,5-tetrahydro-1H-benzazepine;1,2,3,4-tetrahydrobenzo[b]azepin-5-tone;1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE;3,4-dihydro-1H-benzo[b]azepin-5(2H)-one;2,3,4,5-tetrahydro-1H-1-benzazepin-5-one;1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one

CBNumber:: CB2357010

???:: C10H11NO

??? ??:: 161.2

MOL ??:: 1127-74-8.mol

?? ?? 208

1,2,3,4-???????-??[b]???-5-? ??

?? ?: 314.6±12.0 °C(Predicted)

??: 1.100±0.06 g/cm3(Predicted)

?? ??: 2-8°C(protect from light)

?? ?? (pKa): 3.05±0.20(Predicted)

??? ??: ??

??: ???? ?? ????

InChI: InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2

InChIKey: NKRKBYFBKLDCFB-UHFFFAOYSA-N

SMILES: N1C2=CC=CC=C2C(=O)CCC1

CAS ??????: 1127-74-8(CAS DataBase Reference)

?? ? ?? ??
?? ? ???? ?? (GHS)

?? ??	IRRITANT
HS ??	2933998090

????(GHS):

?? ?:

Warning

??·?? ??:

??	??·?? ??	?? ??	??	?? ?	P- ??
H302	??? ???	?? ?? ?? - ??	?? 4	??	P264, P270, P301+P312, P330, P501
H312	??? ???? ???	?? ?? ?? - ??	?? 4	??	P280,P302+P352, P312, P322, P363,P501
H315	??? ??? ???	????? ?? ?????	?? 2	??	P264, P280, P302+P352, P321,P332+P313, P362
H319	?? ?? ??? ???	?? ? ?? ?? ??? ??	?? 2A	??	P264, P280, P305+P351+P338,P337+P313P
H332	???? ???	?? ?? ?? ??	?? 4	??	P261, P271, P304+P340, P312
H335	?? ???? ??? ? ??	?? ???? ?? - 1? ??;???? ??	?? 3	??

??????:

P261	??·?·??·???·??·...·????? ??? ????.
P264	?? ??? ?? ??? ????.
P264	?? ??? ?? ??? ????.
P270	? ??? ??? ??? ???, ???? ???? ???.
P271	?? ?? ??? ? ?? ???? ?????.
P280	????/???/???/?????? ?????.
P301+P312	??? ???? ??? ????(??)? ??? ????.
P302+P352	??? ??? ??? ?? ????.
P304+P340	???? ??? ??? ?? ??? ??? ???? ?? ??? ??? ????.
P305+P351+P338	?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
P312	???? ??? ????(??)? ??? ????.
P321	(…) ??? ???.
P322	?? ??(??? … ??)
P330	?? ?????.
P332+P313	?? ??? ??? ???? ??· ??? ????.
P362	??? ??? ?? ?? ?? ?????
P363	?? ??? ??? ??? ?????.
P501	...? ??? / ??? ?? ???.

1,2,3,4-???????-??[b]???-5-? C??? ??, ??, ??

Synthesis

Polyphosphoric acid (25g) was heated at 100°C under nitrogen until it could be stirred. 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one (2.6g, 8.2 6mmol) was added portion-wise and the reaction mixture was heated at 100°C for 1.5h. It was poured into ice and basified with 2M NaOH(aq). The aqueous layer was extracted twice with dichloromethane. The organic extracts were combined, washed with brine, dried and reduced in vacuo. The residue was purified by flash chromatography on silica gel (eluant; 40percent EtOAc: 60percent hexane) to yield 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one (1.05g, 79percent).

1,2,3,4-???????-??[b]???-5-? ?? ?? ? ???

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1-(???-4-???)-1,2,3,4-?????????[B]???-5-?

?? ??

2,3,4,5-??????-1H-??[b]???

1,2,3,4-???????-??[b]???-5-? ?? ??

???( 208)?? ??

???	??	???	??	?? ?	??
Shaanxi Dideu Medichem Co. Ltd	+86-17392712779	1097@dideu.com	China	3992	58
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD	+86-15225627621 +86-13213167925	jiuyitime@fdachem.com	China	16511	58
Capot Chemical Co.,Ltd.	+86-（0）57185586718 +86-13336195806	sales@capot.com	China	29640	60
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21585	55
career henan chemical co	+86-0371-86658258	sales@coreychem.com	China	29812	58
Nanjing Dolon Biotechnology Co.,Ltd.	18905173768	52513593@qq.com	CHINA	2972	58
Alchem Pharmtech,Inc.	8485655694	sales@alchempharmtech.com	United States	63687	58
Wuhan Chemwish Technology Co., Ltd	027-67849912	sales@chemwish.com	CHINA	10821	58
CONIER CHEM AND PHARMA LIMITED		sales@conier.com	China	49979	58
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd	+8613580539051	joe@yuhengpharm.com	CHINA	21142	58

1,2,3,4-???????-??[b]???-5-? ?? ??:

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