7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

Base Information

• Chemical Name: 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine
• CAS No.: 313673-94-8
• Molecular Formula: C10H12 Cl N
• Molecular Weight: 181.665
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90441009
• Wikidata: Q82257541
• Mol file: 313673-94-8.mol

Synonyms:313673-94-8;7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine;7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepine;7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine hydrochloride;SCHEMBL10122766;DTXSID90441009;MFCD09026493;AKOS022174627;CS-W004236;AS-67016;EN300-303624;A875926

Chemical Property of 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.546
• Boiling Point: 304.467°C at 760 mmHg
• Flash Point: 137.937°C
• PSA: 12.03000
• Density: 1.121g/cm³
• LogP: 3.22620
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.0658271
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC2=C(C1)C=C(C=C2)Cl

Technology Process of 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine

There total 7 articles about 7-Chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

7-chloro-1-toluenesulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine (313673-93-7) → 7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine (313673-94-8)

Guidance literature:

With methanol; magnesium; for 4h;

DOI:10.1021/jm000108p

Reference yield: 88.1%

7-Chlor-1,3,4,5-tetrahydro-2H-benzazepin-2-on (22344-77-0) → 7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine (313673-94-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4h; Heating;

DOI:10.1080/00397910500377495

Reference yield: 77.0%

7-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one (160129-45-3) → 7-chloro-2,3,4,5-tetrahydro-1H-benzo[b]azepine (313673-94-8)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In 1,2-dimethoxyethane; at 160 ℃; for 4h;

DOI:10.1016/j.ejmech.2021.113383

upstream raw materials:

7-chloro-1-toluenesulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine

7-Chlor-1,3,4,5-tetrahydro-2H-benzazepin-2-on

2,3,4,5-tetrahydro-1H-1-benzo[b]azepin-2-one

1-tetralone oxime

Downstream raw materials:

(7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)-2-methyl-4-nitrobenzamide

7-chloro-1-[2-nitrophenylsulfonyl]-2,3,4,5-tetrahydro-1H-1-benzazepine

Refernces

• 1、 Guo, Zheng,Zhang, Zixue,Zhang, Yi,Wang, Guan,Huang, Ziyi,Zhang, Qinwei,Li, Jianqi. "Design, synthesis and biological evaluation of brain penetrant benzazepine-based histone deacetylase 6 inhibitors for alleviating stroke-induced brain infarction". . . Retrieved 2021/04/02.
• 2、 Kondo,Ogawa,Shinohara,Kurimura,Tanada,Kan,Yamashita,Nakamura,Hirano,Yamamura,Mori,Tominaga,Itai. "Novel design of nonpeptide AVP V2 receptor agonists: Structural requirements for an agonist having 1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine as a template". . p. 4388 - 4397. Retrieved 2007/10/03.