1-Cyclohexyl-3,4-dihydroisoquinoline

Base Information

• Chemical Name: 1-Cyclohexyl-3,4-dihydroisoquinoline
• CAS No.: 65071-52-5
• Molecular Formula: C15H19N
• Molecular Weight: 213.323
• DSSTox Substance ID: DTXSID90497208
• Nikkaji Number: J2.645.935D
• Wikidata: Q82346629
• Mol file: 65071-52-5.mol

Synonyms:1-Cyclohexyl-3,4-dihydroisoquinoline;65071-52-5;SCHEMBL8409961;DTXSID90497208

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

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 213.151749610
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=NCCC3=CC=CC=C32

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

There total 13 articles about 1-Cyclohexyl-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: 90.0%

cyclohexanecarboxylic acid phenethylamide (53182-00-6) → 1-cyclohexyl-3,4-dihydroisoquinoline (65071-52-5)

Guidance literature:

With polyphosphoric acid; at 180 - 200 ℃;

DOI:10.1021/acs.orglett.5b00987

Reference yield: 72.0%

isoquinoline (119-65-3) + C21H40NZn(1-)*Li(1+)*Br2Cl2Mg2 → 1‐cyclohexylisoquinoline (33538-11-3) + 1-cyclohexyl-3,4-dihydroisoquinoline (65071-52-5)

Guidance literature:

isoquinoline; C₂₁H₄₀NZn^(1-)*Li⁽¹⁺⁾*Br₂Cl₂Mg₂; With Trimethyl borate; In tetrahydrofuran; at 20 ℃;

With water; In tetrahydrofuran; regioselective reaction;

DOI:10.1016/j.tetlet.2012.05.002

Reference yield: 66.0%

cyclohexane carboxylic acid (Z)-styryl amide (389572-10-5) → 1-cyclohexyl-3,4-dihydroisoquinoline (65071-52-5)

Guidance literature:

With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at -78 - 140 ℃; Inert atmosphere; Microwave irradiation at 140 °C for 5 min;

DOI:10.1021/ol801264u

upstream raw materials:

cyclohexanecarboxylic acid phenethylamide

phenethylamine

cyclohexanylcarbonyl chloride

cyclohexane carboxylic acid (Z)-styryl amide

Downstream raw materials:

(R)-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

1‐cyclohexylisoquinoline

(1S)-cyclohexyl-1,2,3,4-tetrahydroisoquinoline

2-allyl-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline