1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
• CAS No.: 76201-90-6
• Molecular Formula: C17H16ClNO2
• Molecular Weight: 301.773
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID30384946
• Nikkaji Number: J479.804J
• Wikidata: Q82177430
• ChEMBL ID: CHEMBL1086784
• Mol file: 76201-90-6.mol

Synonyms:1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline;76201-90-6;CHEMBL1086784;Maybridge4_002763;Oprea1_299430;MLS000860935;DTXSID30384946;HMS1528N13;HMS2782J14;BDBM50415611;IDI1_032641;SMR000459719;FT-0759778;BRD-K74509366-001-01-2;1-(p-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Chemical Property of 1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Chemical Property:

• Vapor Pressure: 7.67E-07mmHg at 25°C
• Boiling Point: 418.9oC at 760 mmHg
• Flash Point: 207.2oC
• PSA: 30.82000
• Density: 1.22g/cm3
• LogP: 3.18630
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 301.0869564
• Heavy Atom Count: 21
• Complexity: 379

Purity/Quality:

1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)CCN=C2C3=CC=C(C=C3)Cl)OC

Technology Process of 1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

There total 14 articles about 1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline 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%

1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (55507-15-8) → 6,7-dimethoxy-1-<(para-chloro)phenyl>-3,4-dihydroisoquinoline (76201-90-6)

Guidance literature:

With 4-tert-Butylcatechol; In chloroform; water; at 20 ℃; for 11h;

DOI:10.1002/chem.201500148

Reference yield: 91.0%

→ 1-(4-chlorophenyl)-6,7-dimethoxyisoquinoline (75448-45-2) + 6,7-dimethoxy-1-<(para-chloro)phenyl>-3,4-dihydroisoquinoline (76201-90-6)

Guidance literature:

With air; In N,N-dimethyl-formamide; at 100 ℃; for 24h; Schlenk technique; Green chemistry;

Reference yield: 79.0%

2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + para-chlorobenzoic acid (74-11-3) → 6,7-dimethoxy-1-<(para-chloro)phenyl>-3,4-dihydroisoquinoline (76201-90-6)

Guidance literature:

2-(3,4-dimethoxyphenyl)-ethylamine; para-chlorobenzoic acid; With trichlorophosphate; In toluene; at 140 ℃; for 0.5h; Microwave irradiation;

With sodium hydroxide; In water; pH=8; Cooling;

DOI:10.1021/jo100980p

upstream raw materials:

N-(3,4-dimethoxyphenethyl)-4-chlorobenzamide

4-chloro-benzoyl chloride

2-(3,4-dimethoxyphenyl)-ethylamine

para-chlorobenzoic acid

Downstream raw materials:

(-)-1-(4-chlorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline