Trimopam

Base Information

• Chemical Name: Trimopam
• CAS No.: 20012-08-2
• Molecular Formula: C19H23NO2
• Molecular Weight: 297.397
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80860568
• Nikkaji Number: J511.730E
• Wikidata: Q18394827
• ChEMBL ID: CHEMBL343569
• Mol file: 20012-08-2.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 Trimopam

Chemical Property:

• Vapor Pressure: 3.72E-07mmHg at 25°C
• Melting Point: 80-81 °C
• Boiling Point: 416.8°C at 760 mmHg
• PKA: 8.18±0.40(Predicted)
• 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:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC)OC

Technology Process of Trimopam

There total 22 articles about Trimopam 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: 95.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 7,8-dimethoxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (20569-49-7) → 1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (20012-08-2)

Guidance literature:

With formic acid; for 4h; Heating;

DOI:10.1021/jm00086a016

Reference yield: 90.0%

2-(N-3,4-dimethoxyphenethyl-N-methylamino)-1-phenylethyl N',N'-diisopropylcarbamate (1147090-63-8) → 1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (20012-08-2)

Guidance literature:

With methanesulfonic acid; trifluoroacetic acid; for 24h; Reflux;

DOI:10.1016/j.tet.2009.01.098

Reference yield: 64.0%

(1R,2S)-6,7-Dimethoxy-2-methyl-1-phenyl-2-trimethylsilanylmethyl-1,2,3,4-tetrahydro-isoquinolinium; iodide (144436-99-7,144437-00-3) → 10,11-dimethoxy-6-methyl-5,6,7,8-tetrahydro-13H-dibenzoazonine (26598-75-4) + 1-phenyl-N-methyl-7,8-dimethoxy-1,2,4,5-tetrahydro-3H-benzazepine (20012-08-2) + (Z)-5-benzylidene-2,3-dimethoxy-1,3-cyclohexadiene-6-spiro-3'-1'-methylpyrrolidine (144437-04-7) + (E)-5-benzylidene-2,3-dimethoxy-1,3-cyclohexadiene-6-spiro-3'-1'-methylpyrrolidine (144437-03-6)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; cesium fluoride; In N,N-dimethyl-formamide; for 3h; Yields of byproduct given; Ambient temperature;

DOI:10.1021/jo00051a008

upstream raw materials:

formaldehyd

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

(+)-(S)-N-(3,5-dimethoxyphenethyl)halostachine

(1R,2S)-6,7-Dimethoxy-2-methyl-1-phenyl-2-trimethylsilanylmethyl-1,2,3,4-tetrahydro-isoquinolinium; iodide

Downstream raw materials:

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

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

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

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