Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Base Information

Chemical Name:Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS No.:87803-13-2
Molecular Formula:C17H17NO2
Molecular Weight:267.327
Hs Code.:
DSSTox Substance ID:DTXSID70520346

Synonyms:87803-13-2;SCHEMBL13589929;DTXSID70520346;Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Suppliers and Price of Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:267.125928785
Heavy Atom Count:20
Complexity:338

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)N1CCC2=CC=CC=C2C1C3=CC=CC=C3

Technology Process of Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

There total 8 articles about Methyl 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate 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: 96.0%

: 758-11-2
acetyl hypochlorite

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

: 87803-13-2,1251905-45-9
Methyl 1-Phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

Guidance literature:: With pyridine; for 18h; Ambient temperature;
DOI:10.1021/jo00175a027

Reference yield: 85.0%

: 79-22-1
methyl chloroformate

: 22990-19-8
1-phenyl-1,2,3,4-tetrahydroisoquinoline

: 87803-13-2,1251905-45-9
Methyl 1-Phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

Guidance literature:: With triethylamine; In dichloromethane; at -78 - 25 ℃; for 1h;
DOI:10.1039/d0cc01969k

Reference yield:

: 64-04-0
phenethylamine

: 87803-13-2,1251905-45-9
Methyl 1-Phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: sodium hydroxide / dichloromethane; water / 0.17 h / 0 °C

2: phosphorus pentoxide; phosphoric acid / 1 h / 170 °C

3: sodium tetrahydroborate / methanol / 1 h / 0 - 25 °C

4: triethylamine / dichloromethane / 1 h / -78 - 25 °C

With sodium tetrahydroborate; phosphorus pentoxide; phosphoric acid; triethylamine; sodium hydroxide; In methanol; dichloromethane; water;
DOI:10.1039/d0cc01969k