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| | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Basic information |
| Product Name: | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one | | Synonyms: | A-BROMOBENZOCAPROLACTAM;ALPHA-BROMOBENZO-CAPROLACTAM;3-Bromobenzocaprolactam 3-Bromo-2,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one;3-Bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;3-bromobenzocaprolactam;3-bromo-1,3,4,5-tetrahdro-2h-benzazepin-2-one;3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPIN-2-ONE;3-BROMO-1,3,4,5-TETRAHYDRO-2H-1-BENZAZEPINE-2-ONE | | CAS: | 86499-96-9 | | MF: | C10H10BrNO | | MW: | 240.1 | | EINECS: | | | Product Categories: | pharmacetical;86499-96-9;john's | | Mol File: | 86499-96-9.mol | ![3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Structure](CAS/GIF/86499-96-9.gif) |
| | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Chemical Properties |
| Melting point | 164 °C | | Boiling point | 383.2±42.0 °C(Predicted) | | density | 1.492±0.06 g/cm3(Predicted) | | Fp | 185.542℃ | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | slightly soluble in ethanol, benzene, acetone, insoluble in water | | pka | 13.59±0.40(Predicted) | | InChI | InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13) | | InChIKey | JMXPGCGROVEPID-UHFFFAOYSA-N | | SMILES | N1C2=CC=CC=C2CCC(Br)C1=O | | CAS DataBase Reference | 86499-96-9(CAS DataBase Reference) |
| | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Usage And Synthesis |
| Uses | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one is an intermediate in the synthesis of Benazepril Hydrochloride. Benazepril Hydrochloride is a first-line antihypertensive drug recommended by the WHO. It is a chiral drug with excellent clinical efficacy, strong safety and tiny side effects in the international antihypertensive drugs of angiotensin converting enzyme inhibitors. | | Chemical Properties | White or almost white crystalline | | Preparation | The preparation of 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one is as follows:10 parts by weight of the heated melted polyphosphoric acid was added to the drying kettle, With stirring, The above 2-bromo-3,4-dihydro-N-hydroxy- (2H) -naphthalimide was added in portions at a temperature of 60 ° C, Insulation reaction for 20 hours; The reaction solution was added dropwise to 12.5 parts by weight of water to carry out hydrolysis, Still Washed to give 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one crude; 10 parts by weight of methanol and 0.1 part by weight of activated carbon were added, Heating decolorization, After filtration, the filtrate was cooled to 10 ° C for 20 hours, centrifuged, washed and dried to give 3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepan-2-one. The purity of the product was 3, 10-bromo-1,3,4,5-tetrahydro-2H-1-benzazepan-2-one as high as 99.6% and the yield was as high as 98%. 
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| | 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one Preparation Products And Raw materials |
| Raw materials | 1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-, oxime-->2-Bromo-1,2,3,4-tetrahydronaphthalen-1-one-->1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one-->Benzene-->1-Tetralone | | Preparation Products | L-Homophenylalanine ethyl ester-->S-ATBA-->[S-(R*,R*)]-1,3,4,5-Tetrahydro-3-[(1-phenylethyl)amino]-2H-1-benzazepin-2-one |
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