5-Chloro-N-phenylbenzene-1,2-diamine

Base Information

• Chemical Name: 5-Chloro-N-phenylbenzene-1,2-diamine
• CAS No.: 68406-47-3
• Molecular Formula: C12H11ClN2
• Molecular Weight: 218.686
• European Community (EC) Number: 270-052-9
• DSSTox Substance ID: DTXSID20987980
• Nikkaji Number: J332.510E
• Wikidata: Q82976374
• Mol file: 68406-47-3.mol

Synonyms:68406-47-3;5-Chloro-N-phenylbenzene-1,2-diamine;4-chloro-2-N-phenylbenzene-1,2-diamine;5-CHLORO-N1-PHENYLBENZENE-1,2-DIAMINE;EINECS 270-052-9;1,2-Benzenediamine, 4-chloro-N2-phenyl-;Oprea1_258582;SCHEMBL4925570;Diphenylamine, 2-amino-5-chloro;DTXSID20987980;4-Chloro-2-(phenylamino)benzenamine;AKOS022653149;SB79283;4-Chloro-N2-phenylbenzene-1,2-diamine;4-Chloro-N~2~-phenylbenzene-1,2-diamine;EN300-187049;Z1496545393

Chemical Property of 5-Chloro-N-phenylbenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 3.25E-05mmHg at 25°C
• Melting Point: 93-97oC
• Boiling Point: 354.9°Cat760mmHg
• Flash Point: 168.4°C
• PSA: 38.05000
• Density: 1.288g/cm³
• LogP: 4.32000
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.0610761
• Heavy Atom Count: 15
• Complexity: 192

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Chloro-N1-phenylbenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=C(C=CC(=C2)Cl)N
• Uses: 5-Chloro-N1-phenylbenzene-1,2-diamine is a reaget that is used in the synthesis of dihydrobenzodiazepinediones as inhibitors of HIV-1 capsid assembly reverse transcriptase inhibitor.

Technology Process of 5-Chloro-N-phenylbenzene-1,2-diamine

There total 11 articles about 5-Chloro-N-phenylbenzene-1,2-diamine 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: 99.2%

5-chloro-2-nitro-N-phenylaniline (25781-92-4) → 4-chloro-N2-phenylbenzene-1,2-diamine (68406-47-3)

Guidance literature:

With hydrogen; platinum; In methanol; at 75 - 80 ℃; for 1.5h; Reagent/catalyst; Temperature; Solvent; Autoclave;

Reference yield: 99.0%

→ 4-chloro-N2-phenylbenzene-1,2-diamine (68406-47-3)

Guidance literature:

Reference yield: 10.0%

carbon monoxide (201230-82-2) + 5-chloro-2-nitro-N-phenylaniline (25781-92-4) → 4-chloro-N2-phenylbenzene-1,2-diamine (68406-47-3) + 6-chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one (54986-47-9)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; sodium chloride; In acetonitrile; at 220 ℃; for 2h; under 37503 Torr;

upstream raw materials:

5-chloro-2-nitro-N-phenylaniline

4-chloroazobenzene

1-(4-chlorophenyl)-2-phenylhydrazine

carbon monoxide

Downstream raw materials:

N-desmethylclobazam

8-chloro-4-(dimethylamino)-1,3-dihydro-1-phenyl-2H-1,5-benzodiazepin-2-one

clobazam

C₂₀H₂₁ClN₄O

Refernces

• 1、 Tan, Fang-Fang,Tang, Kai-Li,Zhang, Ping,Guo, Yan-Jun,Qu, Mengnan,Li, Yang. "Utilization of a Hydrogen Source from Renewable Lignocellulosic Biomass for Hydrogenation of Nitroarenes". . p. 4189 - 4195. Retrieved 2019/03/07.
• 2、 -. "PROCESS FOR PREPARING CLOBAZAM USING NOVEL INTERMEDIATES". Page/Page column 19. . Retrieved 2016/12/22.