2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate

Base Information

• Chemical Name: 2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate
• CAS No.: 57616-48-5
• Molecular Formula: C23H23Cl2N3O4S
• Molecular Weight: 508.4174
• Mol file: 57616-48-5.mol

Synonyms:NSC 376354;2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate;57616-48-5;NSC376354;SCHEMBL11648693;2-[[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]sulfanyl]-N,N-dimethyl-ethanamine;fumaric acid

Chemical Property of 2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate

Chemical Property:

• Vapor Pressure: 3.62E-10mmHg at 25°C
• Boiling Point: 501°Cat760mmHg
• Flash Point: 256.8°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 507.0786328
• Heavy Atom Count: 33
• Complexity: 628

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl.C(=C/C(=O)O)\C(=O)O

Technology Process of 2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate

There total 2 articles about 2-((7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl)thio)-N,N-dimethylethanamine 2-butenedioate 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:

(2-chloroethyl)dimethylamine hydrochloride (4584-46-7) + 7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione (2894-71-5,49853-64-7) → 2-(2-dimethylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine maleate (57616-48-5) + 7-chloro-5-(2-chlorophenyl)-2-(2-dimethylaminoethylthio)-3H-1,4-benzodiazepine (57616-47-4)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield:

2-(dimethylamino)ethyl chloride (107-99-3) + 7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione (2894-71-5,49853-64-7) → 2-(2-dimethylaminoethylthio)-5-(2-chlorophenyl)-7-chloro-3H-1,4-benzodiazepine maleate (57616-48-5) + 7-chloro-5-(2-chlorophenyl)-2-(2-dimethylaminoethylthio)-3H-1,4-benzodiazepine (57616-47-4)

Guidance literature:

In N-methyl-acetamide;

upstream raw materials:

2-(dimethylamino)ethyl chloride

7-chloro-1,3-dihydro-5-(o-chlorophenyl)-2H-1,4-benzodiazepine-2-thione

(2-chloroethyl)dimethylamine hydrochloride

Refernces