6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Base Information

• Chemical Name: 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium
• CAS No.: 63768-20-7
• Molecular Formula: C17H19 N O2 . Cl H
• Molecular Weight: 305.804
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10980344
• Wikidata: Q82966274
• Mol file: 63768-20-7.mol

Synonyms:DTXSID10980344;6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Chemical Property of 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Chemical Property:

• Vapor Pressure: 1.23E-06mmHg at 25°C
• Melting Point: 251-254°C
• Boiling Point: 400.9°C at 760 mmHg
• Flash Point: 167.1°C
• PSA: 30.49000
• LogP: 4.06970
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 270.149403881
• Heavy Atom Count: 20
• Complexity: 303

Purity/Quality:

99%, ^*data from raw suppliers

6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C([NH2+]CCC2=C1)C3=CC=CC=C3)OC
• Isomeric SMILES: COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC=CC=C3)OC

Technology Process of 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

There total 2 articles about 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium 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: 88.0%

2-phenyl-tetrahydro-(2H)-1,3-oxazine (17762-72-0) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) → (rac)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (63768-20-7)

Guidance literature:

In trifluoroacetic acid; for 20h; Heating;

Reference yield:

→ (rac)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (63768-20-7)

Guidance literature:

2-(3,4-Dimethoxyphenyl)ethylamin, Benzaldehyd;

DOI:10.1021/jm00277a007

Reference yield: 78.0%

N-(2-fluorobenzyl)-N-indan-2-yl-2-bromoacetamide (439571-83-2) + (rac)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (63768-20-7) → N-(2-fluorobenzyl)-N-indan-2-yl-2-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide (439557-50-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃;

upstream raw materials:

2-phenyl-tetrahydro-(2H)-1,3-oxazine

2-(3,4-dimethoxyphenyl)-ethylamine

Downstream raw materials:

N-(2-fluorobenzyl)-N-indan-2-yl-2-(6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-octanoic acid benzyloxyamide

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