2-(Methylamino)-5-chlorobenzophenone imine

Base Information

• Chemical Name: 2-(Methylamino)-5-chlorobenzophenone imine
• CAS No.: 5606-40-6
• Molecular Formula: C14H13 Cl N2
• Molecular Weight: 244.724
• DSSTox Substance ID: DTXSID10971434
• Nikkaji Number: J759.921H
• Wikidata: Q82954942
• Mol file: 5606-40-6.mol

Synonyms:2-(methylamino)-5-chlorobenzophenone imine;2-MeNH-5-Cl-PhCOPh imine

Chemical Property of 2-(Methylamino)-5-chlorobenzophenone imine

Chemical Property:

• Vapor Pressure: 1.68E-06mmHg at 25°C
• Boiling Point: 396.7°C at 760 mmHg
• Flash Point: 193.7°C
• PSA: 35.88000
• Density: 1.16g/cm³
• LogP: 3.97060
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 244.0767261
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=C(C=C(C=C1)Cl)C(=N)C2=CC=CC=C2
• Uses: 4-Chloro-2-(iminophenylmethyl)-N-methylbenzenamine, is an impurity of Diazepam (D416855), an anxiolytic; muscle relaxant (skeletal); anticonvulsant.

Technology Process of 2-(Methylamino)-5-chlorobenzophenone imine

There total 6 articles about 2-(Methylamino)-5-chlorobenzophenone imine 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: 61.0%

→ (2-methylamino-5-chlorophenyl)-phenyl-methane-imine (5606-40-6) + 5-chloro-2-(methylamino)benzonitrile (85702-70-1)

Guidance literature:

Reference yield:

7-chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2,2-dioxide disodium salt → (2-methylamino-5-chlorophenyl)-phenyl-methane-imine (5606-40-6) + 5-chloro-2-(methylamino)benzophenone (1022-13-5)

Guidance literature:

With sodium hydroxide; In ethanol; at 37 ℃; for 0.55h; Thermodynamic data; Mechanism; E(act), ΔH(excit), ΔS(excit), ΔG(excit); var. times, and temp.;

DOI:10.1002/jccs.199800044

Reference yield:

N-methyl-N-(2-benzoyl-4-chlorophenyl)formamide (52395-00-3) → (2-methylamino-5-chlorophenyl)-phenyl-methane-imine (5606-40-6)

Guidance literature:

With ammonia; Zinc chloride; In methanol;

upstream raw materials:

5-chloro-2-aminobenzophenone

methyl iodide

N-methyl-N-(2-benzoyl-4-chlorophenyl)formamide

N-(2-benzoyl-4-chlorophenyl)formamide

Downstream raw materials:

7-Chloro-1-methyl-2,3-bis-(4-methyl-piperazin-1-yl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine

7-Chloro-1-methyl-5-phenyl-2,3-di-piperidin-1-yl-2,3-dihydro-1H-benzo[e][1,4]diazepine

7-Chloro-1-methyl-2,3-di-morpholin-4-yl-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepine

5-chloro-2-(N-methyl-trichloroacetamido)benzophenone