1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 41565-97-3
• Molecular Formula: C₁₂H₁₇N
• Molecular Weight: 175.274
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID00407575
• Mol file: 41565-97-3.mol

Synonyms:41565-97-3;1,3,3-TRIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE;1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline;CHEMBRDG-BB 4000293;DTXSID00407575;AKOS006282532;F14609

Chemical Property of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Vapor Pressure: 0.0181mmHg at 25°C
• Boiling Point: 253.6°C at 760 mmHg
• Flash Point: 105.5°C
• PSA: 12.03000
• Density: 0.919g/cm³
• LogP: 3.00070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 175.136099547
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinolinehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2CC(N1)(C)C

Technology Process of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline

There total 2 articles about 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline 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: 71.0%

1,3,3-trimethyl-4H-isoquinoline (79023-51-1) → 1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline (41565-97-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 4h; Heating;

DOI:10.1007/BF00473462

Reference yield:

→ 1,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline (41565-97-3)

Guidance literature:

Hydrierung von Isochinolin (10);

DOI:10.1021/jm00260a015

upstream raw materials:

1,3,3-trimethyl-4H-isoquinoline

Refernces