1,3-Dimethylisoquinoline

Base Information

Chemical Name:1,3-Dimethylisoquinoline
CAS No.:1721-94-4
Molecular Formula:C11H11 N
Molecular Weight:157.215
Hs Code.:2933499090
European Community (EC) Number:217-018-1
UNII:WR3Y4W9FNZ
DSSTox Substance ID:DTXSID60169208
Nikkaji Number:J203.117E
Wikidata:Q83038861
Mol file:1721-94-4.mol

Synonyms:1,3-Dimethylisoquinoline;1721-94-4;EINECS 217-018-1;WR3Y4W9FNZ;Isoquinoline, 1,3-dimethyl-;dimethylisoquinoline;UNII-WR3Y4W9FNZ;SCHEMBL637928;DTXSID60169208;AKOS006371971

Suppliers and Price of 1,3-Dimethylisoquinoline

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

AccelPharmtech
1,3-dimethyl-Isoquinoline 97.00%
5G
$ 3230.00

Total 7 raw suppliers

Chemical Property of 1,3-Dimethylisoquinoline

Chemical Property:

Vapor Pressure:0.0156mmHg at 25°C
Boiling Point:264.8°Cat760mmHg
Flash Point:108.9°C
PSA：12.89000
Density:1.052g/cm³
LogP:2.85160
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:157.089149355
Heavy Atom Count:12
Complexity:155

Purity/Quality:

98%Min ^*data from raw suppliers

1,3-dimethyl-Isoquinoline 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=CC=CC=C2C(=N1)C

Technology Process of 1,3-Dimethylisoquinoline

There total 16 articles about 1,3-Dimethylisoquinoline 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: 91.0%

: 67-56-1
methanol

: 1125-80-0
3-methylisoquinoline

: 1721-94-4
1,3-dimethylisoquinoline

Guidance literature:: With Ethyl 2-mercaptopropionate; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; toluene-4-sulfonic acid; In dimethyl sulfoxide; at 23 ℃; UV-irradiation;
DOI:10.1038/nature14885

Reference yield: 86.0%

: 1159003-52-7
C₁₄H₁₅NO

: 1721-94-4
1,3-dimethylisoquinoline

Guidance literature:: With trifluorormethanesulfonic acid; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 70 ℃; for 2h;
DOI:10.1016/j.tetlet.2009.02.144

Reference yield: 77.0%

: o-allylacetophenone O-pentafluorobenzoyloxime

: 1721-94-4
1,3-dimethylisoquinoline

Guidance literature:: With tetrabutyl-ammonium chloride; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In N,N-dimethyl-formamide; at 80 ℃; for 4h;
DOI:10.1246/cl.2001.526