7-Cyano-1,2,3,4-tetrahydroisoquinoline

Base Information

Chemical Name:7-Cyano-1,2,3,4-tetrahydroisoquinoline
CAS No.:149355-52-2
Molecular Formula:C10H10N2
Molecular Weight:158.203
Hs Code.:2933499090
European Community (EC) Number:676-252-6
DSSTox Substance ID:DTXSID10436396
Nikkaji Number:J1.060.905D
Wikidata:Q82251664
ChEMBL ID:CHEMBL27162
Mol file:149355-52-2.mol

Synonyms:149355-52-2;7-Cyano-1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroisoquinoline-7-carbonitrile;7-ISOQUINOLINECARBONITRILE, 1,2,3,4-TETRAHYDRO-;1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile;CHEMBL27162;1,2,3,4-Tetrahydro-7-isoquinolinecarbonitrile;SCHEMBL351435;DTXSID10436396;LJFNUFCUPDECPC-UHFFFAOYSA-N;ZFA35552;BDBM50072989;MFCD03094745;AKOS005207179;AB13377;FS-2242;7-cyano-1,2,3,4-tetrahydro-isoquinoline;A3275;CS-0096243;FT-0643436;EN300-1222805;Q-102327;7-cyano-1,2,3,4-tetrahydroisoquinoline, AldrichCPR;F2167-0036;1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile

Suppliers and Price of 7-Cyano-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

SynQuest Laboratories
7-Cyano-1,2,3,4-tetrahydroisoquinoline
250 mg
$ 272.00

SynQuest Laboratories
7-Cyano-1,2,3,4-tetrahydroisoquinoline
1 g
$ 752.00

Matrix Scientific
1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile 97%
10g
$ 4500.00

Matrix Scientific
1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile 97%
5g
$ 2844.00

Labseeker
7-Cyano-1,2,3,4-tetrahydroisoquinoline 95
5g
$ 1108.00

Crysdot
1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile 95+%
5g
$ 1030.00

Crysdot
1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile 95+%
1g
$ 294.00

Chemenu
1,2,3,4-Tetrahydroisoquinoline-7-carbonitrile 95%
1g
$ 421.00

Atlantic Research Chemicals
7-Cyano-1,2,3,4-tetrahydroisoquinoline 95%
1gm:
$ 378.20

AstaTech
7-CYANO-1,2,3,4-TETRAHYDROISOQUINOLINE 95%
0.25 / G
$ 95.00

Total 29 raw suppliers

Chemical Property of 7-Cyano-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

Vapor Pressure:0.001mmHg at 25°C
Refractive Index:1.595
Boiling Point:301.519 °C at 760 mmHg
PKA:8.55±0.20(Predicted)
Flash Point:136.154 °C
PSA：35.82000
Density:1.148 g/cm³
LogP:1.53278
Storage Temp.:2-8°C(protect from light)
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:158.084398327
Heavy Atom Count:12
Complexity:203

Purity/Quality:

99%, ^*data from raw suppliers

7-Cyano-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:;
Hazard Codes:Xn
Statements: 20/21/22-51-22
Safety Statements: 22-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCC2=C1C=CC(=C2)C#N

Technology Process of 7-Cyano-1,2,3,4-tetrahydroisoquinoline

There total 7 articles about 7-Cyano-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: 24.5%

: potassium cyanide

: 72299-68-4
1,2,3,4-Tetrahydro-isoquinolin-7-ylamine

: 149355-52-2
7-cyano-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: 1,2,3,4-Tetrahydro-isoquinolin-7-ylamine; With hydrogenchloride; In water; at -5 - 0 ℃;

With sodium nitrate; In water; at 0 ℃; for 1h;

potassium cyanide;

Reference yield:

: 149354-03-0
7-cyano-3,4-dihydroisoquinolin-2(1H)-carboxylic acid t-butyl ester

: 149355-52-2
7-cyano-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: With hydrogenchloride; In methanol; ethyl acetate; at 20 ℃;

Reference yield:

: 99365-69-2
7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

: 149355-52-2
7-cyano-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: 92.2 percent / H₂, conc. HCl / PtO₂ / aq. ethanol / 4 h / 2585.7 Torr

2: 1.) aq. NaNO₂, conc. HCl, 2.) aq. NaOH, Ni₂SO₄*6H₂O / 1.) from 0 deg C to 5 deg C, 15 min, 2.) benzene, a) from 5 deg C to RT, 2 h, b) from RT to 50 deg C, 1 h

With hydrogenchloride; sodium hydroxide; O₄S^(2-)*2Ni⁽¹⁺⁾; hydrogen; sodium nitrite; platinum(IV) oxide; In ethanol;
DOI:10.1021/jm960235e