Nerisopam

Base Information

• Chemical Name: Nerisopam
• CAS No.: 102771-12-0
• Molecular Formula: C₁₈H₁₉N₃O₂
• Molecular Weight: 309.368
• UNII: 18Q4O339AG
• DSSTox Substance ID: DTXSID90145499
• Nikkaji Number: J554.933G
• Wikipedia: Nerisopam
• Wikidata: Q6996288
• NCI Thesaurus Code: C66231
• ChEMBL ID: CHEMBL2104732
• Mol file: 102771-12-0.mol

Synonyms:1-(4-aminophenyl)-4-methyl-7,8-dimethoxy-5H-2,3-benzodiazepine;1-(4-aminophenyl)-4-methyl-7,8-dimethoxy-5H-2,3-benzodiazepine dihydrochloride;1-(4-aminophenyl)-4-methyl-7,8-dimethoxy-5H-2,3-benzodiazepine monohydrochloride;1-(4-aminophenyl)-4-methyl-7,8-dimethoxy-5H-2,3-benzodiazepine sulfate;GYKI 52 322;GYKI 52322;GYKI-522322;Nerisopam

Chemical Property of Nerisopam

Chemical Property:

• Vapor Pressure: 3.34E-09mmHg at 25°C
• Boiling Point: 475.4°Cat760mmHg
• Flash Point: 241.3°C
• PSA: 69.20000
• Density: 1.22g/cm³
• LogP: 2.50780
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 309.147726857
• Heavy Atom Count: 23
• Complexity: 469

Purity/Quality:

97% ^*data from raw suppliers

NERISOPAM 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C(C2=CC(=C(C=C2C1)OC)OC)C3=CC=C(C=C3)N

Technology Process of Nerisopam

There total 5 articles about Nerisopam 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: 65.0%

C18H17N3O4 → Nerisopam (102771-12-0)

Guidance literature:

With hydrogenchloride; iron; In ethanol; water; at 20 ℃; for 2h; Reflux;

DOI:10.1246/cl.130580

Reference yield:

C18H19NO4 → Nerisopam (102771-12-0)

Guidance literature:

With sodium carbonate; hydrazine hydrate; In ethanol; at 0 - 20 ℃; for 0.166667h; Reagent/catalyst; Temperature;

DOI:10.1039/c8ob00708j

Reference yield:

4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (866252-52-0) → Nerisopam (102771-12-0)

Guidance literature:

Multi-step reaction with 3 steps

1: cesium fluoride / acetonitrile / 15 h / 20 °C

2: hydrazine hydrate / ethanol / 16 h / 20 °C

3: iron; hydrogenchloride / ethanol; water / 2 h / 20 °C / Reflux

With hydrogenchloride; iron; hydrazine hydrate; cesium fluoride; In ethanol; water; acetonitrile;

DOI:10.1246/cl.130580

upstream raw materials:

4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate