4'-Chlorodiazepam

Base Information

• Chemical Name: 4'-Chlorodiazepam
• CAS No.: 14439-61-3
• Molecular Formula: C16H12 Cl2 N2 O
• Molecular Weight: 319.19
• Hs Code.: 2933990090
• European Community (EC) Number: 634-296-3
• UNII: 2QW0IK1742
• DSSTox Substance ID: DTXSID3041116
• Nikkaji Number: J23.706J
• Wikipedia: Ro5-4864
• Wikidata: Q7339205
• Pharos Ligand ID: 2KB2PGDYW7WK
• ChEMBL ID: CHEMBL286346
• Mol file: 14439-61-3.mol

Synonyms:4'-chlorodiazepam;chlordiazepam;Ro 5-4864;Ro-05-4864;Ro5-4864

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 4'-Chlorodiazepam

Chemical Property:

• Vapor Pressure: 8.43E-11mmHg at 25°C
• Melting Point: 160-163 °C
• Boiling Point: 517.1°Cat760mmHg
• PKA: 3.08±0.10(Predicted)
• Flash Point: 266.6°C
• PSA: 32.67000
• Density: 1.35g/cm³
• LogP: 3.30780
• Storage Temp.: +2C to +8C
• Solubility.: ethanol: 17 mg/mL
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 318.0326684
• Heavy Atom Count: 21
• Complexity: 432

Purity/Quality:

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
• Uses: 4′-Chlorodiazepam has been used as a translocator protein ligand in mitochondrial functional studies. It has also been used to investigate its protective effects on glucose deprived T98G astrocyte cell lines.

Technology Process of 4'-Chlorodiazepam

There total 8 articles about 4'-Chlorodiazepam 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: 94.0%

N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylchloroacetamide (99833-82-6) → 4-chlorodiazepam (14439-61-3)

Guidance literature:

With hexamethylenetetramine; In methanol; water; for 22h; Heating;

DOI:10.1135/cccc19851064

Reference yield: 80.0%

N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylphthalimidoacetate (99833-83-7) → 4-chlorodiazepam (14439-61-3)

Guidance literature:

With hydrazine; In methanol; water; at 60 ℃; for 3h;

DOI:10.1135/cccc19851064

Reference yield: 37.0%

7-chloro-5-(4-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one (5571-60-8) + methyl iodide (74-88-4) → 4-chlorodiazepam (14439-61-3)

Guidance literature:

With sodium methylate; In toluene; at 20 ℃; for 168h;

upstream raw materials:

N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylchloroacetamide

N-<4-chloro-2-(4-chlorobenzoyl)phenyl>-N-methylphthalimidoacetate

7-chloro-5-(4-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one

methyl iodide