1-Ethyl-3,4-dihydroisoquinoline

Base Information

• Chemical Name: 1-Ethyl-3,4-dihydroisoquinoline
• CAS No.: 41173-70-0
• Molecular Formula: C11H13N
• Molecular Weight: 159.231
• DSSTox Substance ID: DTXSID40447975
• Nikkaji Number: J911.610I
• Wikidata: Q82266880
• Mol file: 41173-70-0.mol

Synonyms:1-ethyl-3,4-dihydroisoquinoline;41173-70-0;Isoquinoline,1-ethyl-3,4-dihydro;SCHEMBL7509399;DTXSID40447975;VCOBPTBHSCXEHW-UHFFFAOYSA-N;MFCD02179236;AKOS030605554;CS-7010;CS-0163115;C75091;A917811

Chemical Property of 1-Ethyl-3,4-dihydroisoquinoline

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 159.104799419
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NCCC2=CC=CC=C21

Technology Process of 1-Ethyl-3,4-dihydroisoquinoline

There total 8 articles about 1-Ethyl-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: 96.0%

propionyl chloride (79-03-8) + phenethylamine (64-04-0) → 1-ethyl-3,4-dihydro-isoquinoline (41173-70-0)

Guidance literature:

propionyl chloride; phenethylamine; With triethylamine; In dichloromethane; at 20 ℃; for 2h; Inert atmosphere;

With trichlorophosphate; In para-xylene; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/ejoc.202101078

Reference yield: 87.0%

N-phenethylpropionamide (6283-04-1) → 1-ethyl-3,4-dihydro-isoquinoline (41173-70-0)

Guidance literature:

With polyphosphoric acid; at 180 - 200 ℃;

DOI:10.1021/acs.orglett.5b00987

Reference yield: 51.6%

→ 1-ethyl-3,4-dihydro-isoquinoline (41173-70-0) + 1-ethyl-7-nitro-3,4-dihydroisoquinoline hydrochloride

Guidance literature:

upstream raw materials:

N-phenethylpropionamide

2-phenylethyl chloride

aluminium trichloride

propiononitrile

Downstream raw materials:

4-Dicyanomethylen-1-methyl-2,3-diphenyl-4H-2,3,6,7-tetrahydropyridino<2.1-a>isochinolin

1-ethylidene-2-(2'-iodobenzoyl)-1,2,3,4-tetrahydroisoquinoline

3-imino-1-methyl-2-(4-nitrophenyl)-2,3,5,6-tetrahydrobenzoindolizin-2-ol

4-Dicyanomethylen-1-methyl-2,3-diphenyl-4H-6,7-dihydropyridno<2.1-a>isochinolin