Trepipam

Base Information

• Chemical Name: Trepipam
• CAS No.: 56030-50-3
• Molecular Formula: C19H23 N O2
• Molecular Weight: 297.397
• UNII: 8LMO6J899I
• DSSTox Substance ID: DTXSID2048456
• Nikkaji Number: J11.107D
• Wikipedia: Trepipam
• Wikidata: Q27270727
• NCI Thesaurus Code: C152728
• ChEMBL ID: CHEMBL1618318
• Mol file: 56030-50-3.mol

Synonyms:2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1-phenyl-1H-3-benzazepine;d-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;N-methyl-1-phenyl-7,8-dimethoxy-2,3,4,5-tetrahydro-3-benzazepine;SCH-12679;trimopam;trimopam, (R)-isomer;trimopam, maleate, (1:1), (R)-isomer

Chemical Property of Trepipam

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Boiling Point: 416.8°Cat760mmHg
• Flash Point: 137.5°C
• PSA: 21.70000
• Density: 1.072g/cm³
• LogP: 3.26150
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 297.172878976
• Heavy Atom Count: 22
• Complexity: 342

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC
• Isomeric SMILES: CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)OC)OC

Technology Process of Trepipam

There total 6 articles about Trepipam 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: 99.0%

→ (+)-(R)-1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (56030-50-3)

Guidance literature:

With air; In diethyl ether;

DOI:10.1016/S0957-4166(00)82268-5

Reference yield:

(S)-Mandelic acid (17199-29-0) → (+)-(R)-1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (56030-50-3)

Guidance literature:

Multi-step reaction with 3 steps

2: 89 percent / NEt₃ / CH₂Cl₂

With triethylamine; In dichloromethane;

DOI:10.1016/S0040-4039(00)99447-4

Reference yield:

N-methyl (S)-2-hydroxy-2-phenylethylamine (65058-52-8,6589-55-5) → (+)-(R)-1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (56030-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 89 percent / NEt₃ / CH₂Cl₂

With triethylamine; In dichloromethane;

DOI:10.1016/S0040-4039(00)99447-4

upstream raw materials:

1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine

3,4-dimethoxyphenylacetaldehyde

(+)-(S)-2-{t-butoxycarbonyl(methyl)amino}-1-phenylethanol

7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

Downstream raw materials:

(R)-3-cyano-2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenyl-1H-3-benzazepine

(R)-2,3,4,5-tetrahydro-7,8-dihydroxy-3-methyl-1-phenyl-1H-3-benzazepine hydrobromide

(1R)-(+)-7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

(+)-SKF 38393 hydrochloride