2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester

Base Information

Chemical Name:2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester
CAS No.:17954-22-2
Molecular Formula:C₁₃H₁₂N₂O₂
Molecular Weight:228.25
Hs Code.:
NSC Number:131478,106071
DSSTox Substance ID:DTXSID60295879
Nikkaji Number:J104.719A
Mol file:17954-22-2.mol

Synonyms:17954-22-2;ethyl 1-cyano-1H-isoquinoline-2-carboxylate;2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester;1-Cyano-1,2-dihydroisoquinoline-2-carboxylic acid ethyl ester;2(1H)-Isoquinolinecarboxylic acid, ethyl ester;Ethyl 1-cyano-2(1H)-isoquinolinecarboxylate;NSC131478;DTXSID60295879;DCPDHZLDXSZNNW-UHFFFAOYSA-N;NSC106071;STK968066;AKOS016359048;NSC-106071;NSC-131478;ethyl 1-cyanoisoquinoline-2(1H)-carboxylate;Ethyl 1-cyano-2(1H)-isoquinolinecarboxylate #;2-ethoxycarbonyl-1-cyano-1,2-dihydro-isoquinoline;SR-01000473549;SR-01000473549-1

Suppliers and Price of 2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester

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
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price

Total 5 raw suppliers

Chemical Property of 2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester

Chemical Property:

Vapor Pressure:7.4E-08mmHg at 25°C
Melting Point:83 - 84 °C
Boiling Point:437.6°Cat760mmHg
Flash Point:218.4°C
PSA：53.33000
Density:1.24g/cm³
LogP:2.63198
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:228.089877630
Heavy Atom Count:17
Complexity:369

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1C=CC2=CC=CC=C2C1C#N

Technology Process of 2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester

There total 7 articles about 2(1H)-Isoquinolinecarboxylic acid, 1-cyano-, ethyl ester 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: 77.0%