9-chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine

Base Information

• Chemical Name: 9-chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine
• CAS No.: 76988-39-1
• Molecular Formula: C18H11 Cl2 N3
• Molecular Weight: 340.211
• Hs Code.: 2933990090
• Mol file: 76988-39-1.mol

Synonyms:9-Chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepine;Ro 22-3245

Chemical Property of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine

Chemical Property:

• Vapor Pressure: 1.82E-10mmHg at 25°C
• Boiling Point: 521.8°C at 760 mmHg
• Flash Point: 269.4°C
• PSA: 38.14000
• Density: 1.41g/cm³
• LogP: 4.23700

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine

There total 4 articles about 9-chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine 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: 90.0%

formamidine acetic acid (3473-63-0) + 8-Chloro-1-(2-chlorophenyl)-3,4-dihydro-4-[(dimethylamino)methylene]-5H-2-benzazepin-5-one (58582-31-3) → 9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine (76988-39-1)

Guidance literature:

In formamide; at 100 ℃; for 16h;

DOI:10.1021/jm00365a008

Reference yield: 64.8%

2',5-Dichloro-2-<5-(bromomethyl)-4-pyrimidinyl>benzophenone (87999-63-1) → 9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine (76988-39-1)

Guidance literature:

With ammonium hydroxide; In methanol; ethyl acetate; for 16h; Ambient temperature;

DOI:10.1021/jo00176a015

Reference yield:

2',5-Dichloro-2-(5-methyl-4-pyrimidinyl)benzophenone (87999-60-8) → 9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine (76988-39-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent Turnov_. / N-bromosuccinimide, benzoyl peroxide / chlorobenzene / 24 h / Heating

2: 64.8 percent / conc. aq. NH₃ / methanol; ethyl acetate / 16 h / Ambient temperature

With ammonium hydroxide; N-Bromosuccinimide; Perbenzoic acid; In methanol; ethyl acetate; chlorobenzene;

DOI:10.1021/jo00176a015

upstream raw materials:

2',5-Dichloro-2-<5-(bromomethyl)-4-pyrimidinyl>benzophenone

formamidine acetic acid

8-Chloro-1-(2-chlorophenyl)-3,4-dihydro-4-[(dimethylamino)methylene]-5H-2-benzazepin-5-one

8-chloro-1-(2-chlorophenyl)-3,4-dihydro-5H-2-benzazepin-5-one

Downstream raw materials:

9-chloro-7-(2-chlorophenyl)-6,7-dihydro-5H-pyrimido<5,4-d><2>benzazepine

9-chloro-7-(2-chlorophenyl)-5H-pyrimido<5,4-d><2>benzazepine 6-oxide

5-Amino-8-chloro-1-(2-chloro-phenyl)-1H-benzo[c]azepine-4-carbaldehyde oxime

9-chloro-7-(2-chlorophenyl)-7H-pyrimido<5,4-d><2>benzazepine 3-oxide