| Company Name: |
Sinfachem Limited. Gold |
| Tel: |
025-84683399 13952017251 |
| Email: |
sinfachem@foxmail.com |
|
| | 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Basic information |
| Product Name: | 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one | | Synonyms: | 7-chloro-1, 2, 3, 4-benzo [b] AZA Zhuo-5-ketone;7-Chloro-1,2,3,4-tetrahydro-5H-1-benzozepin-5-one;7-chloro-1,2,3,4-tetrahydro-1-benzazepin-5-one;Tolvaptan Impurity 29;5H-1-Benzazepin-5-one,7-chloro-1,2,3,4-tetrahydro-;7-Chlorobenzo[b]azepan-5-one;7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one;7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one | | CAS: | 160129-45-3 | | MF: | C10H10ClNO | | MW: | 195.65 | | EINECS: | 690-079-3 | | Product Categories: | Building Blocks/Intermediates;Tolvaptan intermediate | | Mol File: | 160129-45-3.mol |  |
| | 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Chemical Properties |
| Melting point | 103.0 to 107.0 °C | | Boiling point | 356.5±41.0 °C(Predicted) | | density | 1.234±0.06 g/cm3(Predicted) | | storage temp. | 2-8°C(protect from light) | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | Solid | | pka | 2.36±0.20(Predicted) | | color | Off-White to Pale Yellow | | InChI | InChI=1S/C10H10ClNO/c11-7-3-4-9-8(6-7)10(13)2-1-5-12-9/h3-4,6,12H,1-2,5H2 | | InChIKey | AHESNFIUAHTYGS-UHFFFAOYSA-N | | SMILES | N1C2=CC=C(Cl)C=C2C(=O)CCC1 |
| Hazard Codes | T | | Risk Statements | 25 | | Safety Statements | 45 | | HS Code | 2933998090 |
| | 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Usage And Synthesis |
| Chemical Properties | White Solid | | Uses | 7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is an intermediate in the synthesis of Tolvaptan (T536650) (OPC-41061), an orally active nonpeptide arginine vasopressin V2 receptor antagonist | | Synthesis |
The synthetic method of 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one comprises the following steps: carrying out an acylation reaction between 4-chloroaniline and succinic anhydride to obtain 4-(4-chloroaniline)-4-oxobutyric acid; carrying out an intramolecular Friedel-Craft reaction on 4-(4-chloroaniline)-4-oxobutyric acid to obtain 7-chloro-3,4-tetrahydrobenzo[b]azepine-2,5-one; reacting 7-chloro-3,4-tetrahydrobenzo[b]azepine-2,5-one with ethylene glycol to obtain 7-chloro-3,4-tetrahydrobenzo[b]azepine-2-one-5-glycol ketal; reducing 7-chloro-3,4-tetrahydrobenzo[b]azepine-2-one-5-glycol ketal, and carrying out de-ketalation under an acidic condition to obtain 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one.
| | References | [1] Patent: WO2007/26971, 2007, A2. Location in patent: Page/Page column 28
[2] Bioorganic and Medicinal Chemistry, 1999, vol. 7, # 8, p. 1743 - 1754
[3] Tetrahedron Asymmetry, 2010, vol. 21, # 19, p. 2390 - 2393 |
| | 7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one Preparation Products And Raw materials |
|