HRID1461477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID35745

2,3-Dichlorobenzaldehyde

C7H4Cl2O

HCID12529188

未命名化合物

HCID19980844

1,4-Thiazepine-4(5H)-carboxylic acid, tetrahydro-6-oxo-, 1,1-dimethylethyl ester, 1,1-dioxide

C10H17NO5S

PRODUCTS

生成物

结构：CC1=C(C(=O)OCCN(C)Cc2ccccc2)C(c2cccc(Cl)c2Cl)C2C(O)(CN(C(=O)OC(C)(C)C)CCS2(=O)=O)N1

HCID19980858

未命名化合物

收率 50.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

A mixture of 4-N-(t-butyloxycarbonyl)-1,1-dioxo-2,3,4,5,6,7-hexahydro-1,4-thiazepin-6-one (8.39 g, 31.9 mmole) from Example 6, 2,3-dichlorobenzaldehyde (5.58 g, 31.9 mmole) and 2-(N-benzyl-N-methylamino)ethyl 3-aminocrotonate (7.91 31.9 mmole) were heated to reflux in 40 mL of ethanol for 17 hours. The reaction was cooled to room temperature, filtered, and the solid washed with 50 mL of ether to obtain the title compound (10.72 g, 50% yield) D.C.I.M.S. (M+H) 668.

WORKUP

后处理

temperaturewere heated
filtrationfiltered
washthe solid washed with 50 mL of ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816ded081e6e484c8454bdc2c8480857
来源数据集: uspto-grants-1991_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05075440
来源说明: uspto-grants-1991_12

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:14][C:13](=[O:15])[CH2:12][S:11](=[O:17])(=[O:16])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:18][C:19]1[C:26]([Cl:27])=[CH:25][CH:24]=[CH:23][C:20]=1[CH:21]=O.[NH2:28]/[C:29](/[CH3:45])=[CH:30]\[C:31]([O:33][CH2:34][CH2:35][N:36]([CH2:38][C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH3:37])=[O:32]>C(O)C>[C:1]([O:5][C:6]([N:8]1[CH2:14][C:13]2([OH:15])[NH:28][C:29]([CH3:45])=[C:30]([C:31]([O:33][CH2:34][CH2:35][N:36]([CH2:38][C:39]3[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=3)[CH3:37])=[O:32])[CH:21]([C:20]3[CH:23]=[CH:24][CH:25]=[C:26]([Cl:27])[C:19]=3[Cl:18])[CH:12]2[S:11](=[O:16])(=[O:17])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]