1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline

Base Information

• Chemical Name: 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline
• CAS No.: 29903-68-2
• Molecular Formula: C19H23 N O2
• Molecular Weight: 297.397
• DSSTox Substance ID: DTXSID00952358
• Nikkaji Number: J2.450.435B
• Mol file: 29903-68-2.mol

Synonyms:29903-68-2;6,7-dimethoxy-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline;1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline;6,7-dimethoxy-1-phenethyl-1,2,3,4-tetrahydroisoquinoline;ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-1-PHENETHYL-;SCHEMBL6374574;DTXSID00952358;ZSTCPHVBMNDKEB-UHFFFAOYSA-N;MFCD01747244;AKOS015946000;LS-85950;NS-05023;FT-0762246;1-Phenethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;6,7-dimethoxy-1-phenethyl-1,2,3,4-tetrahydro-isoquinoline;1-(2-Phenyl-ethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Chemical Property of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline

Chemical Property:

• Vapor Pressure: 8.3E-08mmHg at 25°C
• Boiling Point: 436.1°Cat760mmHg
• Flash Point: 184.6°C
• Density: 1.067g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 297.172878976
• Heavy Atom Count: 22
• Complexity: 329

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(NCCC2=C1)CCC3=CC=CC=C3)OC

Technology Process of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline

There total 11 articles about 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-phenethylisoquinoline 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: 98.0%

3,4-dihydro-6,7-dimethoxy-1-(2-phenylethyl)isoquinoline (81305-67-1) → (+/-)-6,7-dimethoxy-1-[2-(phenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (29903-68-2)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 25 ℃; for 1h;

DOI:10.1039/d0ob02096f

Reference yield:

2-(methoxycarbonyl)phenyl 6,7-dimethoxy-1-phenethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate → (+/-)-6,7-dimethoxy-1-[2-(phenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (29903-68-2)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 0 - 25 ℃; for 18h; Inert atmosphere;

DOI:10.1039/d0ob02096f

Reference yield:

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → (+/-)-6,7-dimethoxy-1-[2-(phenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline (29903-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1: bis[N(C₂H₅)2]-bis{[N-((2,6-iPr)phenyl)]benzamidate}titanium / benzene / 24 h / 65 °C

2: 202 mg / trifluoroacetic acid / benzene / 12 h / Heating

With trifluoroacetic acid; bis[N(C₂H₅)2]-bis{[N-((2,6-iPr)phenyl)]benzamidate}titanium; In benzene;

DOI:10.1002/chem.200600735

upstream raw materials:

3-phenyl-propionaldehyde

2-(3,4-dimethoxyphenyl)-ethylamine

propargyl benzene

hydrocinnamic acid chloride

Downstream raw materials:

6,7-dihydroxy-1-phenethyl-1,2,3,4-tetrahydroisoquinoline

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