1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

Base Information

Chemical Name:1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline
CAS No.:30345-80-3
Molecular Formula:C17H19 N
Molecular Weight:237.34
Hs Code.:2933499090
DSSTox Substance ID:DTXSID40455479
Mol file:30345-80-3.mol

Synonyms:1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline;30345-80-3;1-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;DTXSID40455479;AKOS013353533;FT-0742069

Suppliers and Price of 1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

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

Crysdot
1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline 95+%
1g
$ 510.00

Chemenu
1-(2-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline 95%
1g
$ 482.00

Alichem
1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline
1g
$ 420.16

Total 3 raw suppliers

Chemical Property of 1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

Boiling Point:376.5±11.0 °C(Predicted)
PKA:9.38±0.40(Predicted)
PSA：12.03000
Density:1.046±0.06 g/cm3(Predicted)
LogP:3.75330
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:237.151749610
Heavy Atom Count:18
Complexity:262

Purity/Quality:

99% ，98% ^*data from raw suppliers

1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1CC2C3=CC=CC=C3CCN2

Technology Process of 1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

There total 2 articles about 1-(2-Methylbenzyl)-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: 57.0%

: 2-(2-methylbenzyl)-1,2,3,4-tetrahydroisoquinoline

: 30345-80-3
1-(o-methylbenzyl)-1,2,3.4-tetrahydroisoquinoline

Guidance literature:: With boron trifluoride diethyl etherate; sec.-butyllithium; In tetrahydrofuran; at -78 - 0 ℃; for 1h;
DOI:10.1016/0040-4039(95)01745-4

Reference yield:

: 3230-65-7
3,4-dihydroisoquinoline

: 552-45-4
1-chloromethyl-2-methylbenzene

: 30345-80-3
1-(o-methylbenzyl)-1,2,3.4-tetrahydroisoquinoline

Guidance literature:: With magnesium; Yield given. Multistep reaction; 1.) ether, reflux, 1 h, 2.) reflux, 4 h;
DOI:10.1021/jo00256a038

Reference yield:

: 30345-80-3
1-(o-methylbenzyl)-1,2,3.4-tetrahydroisoquinoline

: 116351-59-8
2-methyl-1-(o-methylbenzyl)-3,4-dihydroisoquinolinium prchlorate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) N-chlorosuccinimide, 2.)KOH / 1.) ether, 25 deg C, 0.5 h, 2.) methanol, 25 deg C, 1 h

2: 67 percent / silver perchlorate / acetonitrile / 2 h / 25 °C

With potassium hydroxide; N-chloro-succinimide; silver perchlorate; In acetonitrile;
DOI:10.1021/jo00256a038