(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Base Information

Chemical Name:(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium
CAS No.:81165-23-3
Molecular Formula:C₁₈H₂₁NO₂*ClH
Molecular Weight:319.831
Hs Code.:
DSSTox Substance ID:DTXSID301001816
Wikidata:Q82995828
Mol file:81165-23-3.mol

Synonyms:(1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium;81165-23-3;DTXSID301001816;1-Benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Suppliers and Price of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 95.00%
5MG
$ 498.03

Total 2 raw suppliers

Chemical Property of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Chemical Property:

Vapor Pressure:3.06E-07mmHg at 25°C
Melting Point:213-215 °C
Boiling Point:419.3°C at 760 mmHg
Flash Point:176.1°C
PSA：30.49000
LogP:4.26410
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:284.165053945
Heavy Atom Count:21
Complexity:316

Purity/Quality:: 1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:C
Statements: 34
Safety Statements: 45-36/37/39-25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=CC=C3)OC
Isomeric SMILES:COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)CC3=CC=CC=C3)OC

Technology Process of (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

There total 7 articles about (1S)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium 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: 78.7%

: 20226-05-5,81165-23-3
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisochinoline hydrochloride

: 14546-73-7,81165-23-3
(+)-(1S)-1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxyquinoline hydrochloride

Guidance literature:: With N-acetyl-D-leucine; (R)-N-acetylphenylalanin; In water; toluene; acetonitrile; at -4 - 70 ℃; for 24.92h;

Reference yield: 68.7%

: 20226-04-4
1-benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline-hydrochloride

: 20226-05-5,81165-23-3
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisochinoline hydrochloride

Guidance literature:: With hydrogen; Pd-BaSO₄; 10% Pd-BaSO4; In methanol; at 40 ℃; under 750.06 Torr;

Reference yield:

: 4876-02-2
N-(3,4-dimethoxyphenethyl)-phenyl acetamide

: 20226-05-5,81165-23-3
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisochinoline hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: phosphoryl chloride / toluene / 3 h / Heating

2: 74 percent / sodium borohydride / 19 h / Ambient temperature

With sodium tetrahydroborate; trichlorophosphate; In toluene;