Isoquinoline, 1,2,3,4-tetrahydro-2-amino-

Base Information

• Chemical Name: Isoquinoline, 1,2,3,4-tetrahydro-2-amino-
• CAS No.: 4836-98-0
• Molecular Formula: C9H12N2
• Molecular Weight: 148.208
• NSC Number: 82330
• UNII: 6SW9KP0INH
• DSSTox Substance ID: DTXSID70197496
• Nikkaji Number: J41.127B
• Wikidata: Q83070345
• Mol file: 4836-98-0.mol

Synonyms:4836-98-0;3,4-DIHYDROISOQUINOLIN-2(1H)-AMINE;ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-AMINO-;1,2,3,4-TETRAHYDROISOQUINOLIN-2-AMINE;3,4-dihydro-1H-isoquinolin-2-amine;NSC 82330;6SW9KP0INH;BRN 0137593;N-Amino-1,2,3,4-tetrahydroisoquinoline;Isoquinoline, 2-amino-1,2,3,4-tetrahydro-;NSC-82330;2-AMINO-1,2,3,4-TETRAHYDROISOQUINOLINE;5-20-06-00339 (Beilstein Handbook Reference);NSC82330;UNII-6SW9KP0INH;NCIOpen2_001260;SCHEMBL302485;DTXSID70197496;3,4dihydro-1H-isoquinolin-2-ylamine;AKOS005213538;N-Amino-1,3,4-tetrahydroisoquinoline;3,4-dihydro-1H-isoquinolin-2-ylamine;MB00779;2(1H)-Isoquinolinamine, 3,4-dihydro-;Isoquinoline,2,3,4-tetrahydro-2-amino-;LS-85799;3,4-DIHYDRO-2(1H)-ISOQUINOLINAMINE;EN300-300578

Chemical Property of Isoquinoline, 1,2,3,4-tetrahydro-2-amino-

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Boiling Point: 257.2°C at 760 mmHg
• PKA: 7.56±0.20(Predicted)
• Flash Point: 130.5°C
• PSA: 29.26000
• Density: 1.098g/cm³
• LogP: 1.55660
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.100048391
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

N-AMINO-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC2=CC=CC=C21)N

Technology Process of Isoquinoline, 1,2,3,4-tetrahydro-2-amino-

There total 5 articles about Isoquinoline, 1,2,3,4-tetrahydro-2-amino- 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: 86.0%

2-nitroso-1,2,3,4-tetrahydroisoquinoline (17721-96-9) → 1,2,3,4-tetrahydro-2-amino-isoquinoline (4836-98-0)

Guidance literature:

With titanium tetrachloride; magnesium; In diethyl ether; 1,2-dichloro-ethane; for 0.5h; Ambient temperature;

Reference yield:

2-nitro-1,2,3,4-tetrahydro-isoquinoline (10308-72-2) → 1,2,3,4-tetrahydro-2-amino-isoquinoline (4836-98-0)

Guidance literature:

With acetic acid; zinc; In methanol; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2015.05.018

Reference yield:

1,2,3,4-tetrahydroisoquinoline (91-21-4) → 1,2,3,4-tetrahydro-2-amino-isoquinoline (4836-98-0)

Guidance literature:

With sulfuric acid; sodium nitrite; Erwaermen des Reaktionsprodukts mit Lithiumalanat in Aether;

DOI:10.1021/ja01520a048

upstream raw materials:

1,2,3,4-tetrahydroisoquinoline

2-nitroso-1,2,3,4-tetrahydroisoquinoline

1,2,3,4-tetrahydroisoquinoline

2-nitro-1,2,3,4-tetrahydro-isoquinoline

Downstream raw materials:

3,5-dimethyl-1H-pyrazole

N-(3,4-Dihydro-1H-isoquinolin-2-yl)-guanidine; compound with nitric acid

2-chloro-N-<2-(1,2,3,4-tetrahydroisoquinolyl)>-5-nitrobenzamide

ethyl 2-phenyl-5,6-dihydropyrazolo[5,1-a]isoquinoline-1-carboxylate