3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride

Base Information

• Chemical Name: 3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride
• CAS No.: 54329-61-2
• Molecular Formula: C₁₀H₁₄N₂*2ClH
• Molecular Weight: 235.156
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID90696012
• Mol file: 54329-61-2.mol

Synonyms:54329-61-2;3-AMINOMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE DIHYDROCHLORIDE;(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanamine dihydrochloride;1,2,3,4-tetrahydroisoquinolin-3-ylmethanamine;dihydrochloride;DTXSID90696012;MFCD08059295;AKOS024260363;AT32133;SB31499;SB31570;SB37599;CS-0216205;EN300-364996;Z2752198127;(1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL)METHANAMINE 2HCL;(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanaminedihydrochloride;3-Isoquinolinemethanamine,1,2,3,4-tetrahydro-,hydrochloride(1:2);3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride, AldrichCPR;1-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanamine--hydrogen chloride (1/2)

Chemical Property of 3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride

Chemical Property:

• PSA: 38.05000
• LogP: 3.29270
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.0690539
• Heavy Atom Count: 14
• Complexity: 147

Purity/Quality:

98.5% ^*data from raw suppliers

3-Aminomethyl-1,2,3,4-tetrahydroisoquinolinedihydrochloride 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NCC2=CC=CC=C21)CN.Cl.Cl

Technology Process of 3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride

There total 5 articles about 3-Aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride 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: 52.0%

(3S)-3-(aminomethyl)-3,4-dihydro-isoquinoline-2(1H)-carboxylic acid benzyl ester (1187932-04-2) → 3-aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride (54329-61-2)

Guidance literature:

(3S)-3-(aminomethyl)-3,4-dihydro-isoquinoline-2(1H)-carboxylic acid benzyl ester; With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 72h; under 760.051 Torr;

With hydrogenchloride; In diethyl ether;

Reference yield: 30.0%

(S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (134732-98-2) → 3-aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride (54329-61-2)

Guidance literature:

(S)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide; With lithium aluminium tetrahydride; In tetrahydrofuran; for 72h; Reflux;

With hydrogenchloride; In diethyl ether;

Reference yield:

methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate (79815-19-3,79799-05-6) → 3-aminomethyl-1,2,3,4-tetrahydroisoquinoline dihydrochloride (54329-61-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ammonia / methanol / 24 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 72 h / Reflux

With lithium aluminium tetrahydride; ammonia; In tetrahydrofuran; methanol;

upstream raw materials:

(3S)-3-(aminomethyl)-3,4-dihydro-isoquinoline-2(1H)-carboxylic acid benzyl ester

methyl (3S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

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

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

Refernces