2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine

Base Information

• Chemical Name: 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine
• CAS No.: 53356-51-7
• Molecular Formula: C11H16 N2
• Molecular Weight: 176.261
• Hs Code.: 2933499090
• European Community (EC) Number: 837-778-3
• NSC Number: 159957
• DSSTox Substance ID: DTXSID60201516
• Nikkaji Number: J86.392K
• Wikidata: Q83074726
• Mol file: 53356-51-7.mol

Synonyms:2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine;53356-51-7;2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamine;2(1H)-Isoquinolineethanamine, 3,4-dihydro-;NSC 159957;BRN 1370770;2(1H)-ISOQUINOLINEETHYLAMINE, 3,4-DIHYDRO-;3,4-Dihydro-2(1H)-isoquinolineethylamine;2-(1,2,3,4-Tetrahydro-2-isoquinoline)ethylamine;5-20-06-00335 (Beilstein Handbook Reference);2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine;MFCD01717314;NSC159957;C(CN)N1CCc2ccccc2C1;SCHEMBL335190;DTXSID60201516;BBL037744;STK503375;AKOS000140212;NSC-159957;AM807253;LS-85711;VS-14423;3,4-Dihydro-2(1H)-isoquinolineethanamine;BB 0255254;CS-0453336;FT-0679104;EN300-31281;2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamine;A870744;2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethan-1-amine;J-505728;2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine, AldrichCPR

Chemical Property of 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine

Chemical Property:

• Vapor Pressure: 0.0021mmHg at 25°C
• Boiling Point: 290.2°Cat760mmHg
• Flash Point: 115.4°C
• PSA: 29.26000
• Density: 1.045g/cm³
• LogP: 1.64160
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

97% ^*data from raw suppliers

2-(3,4-Dihydroisoquinolin-2(1h)-yl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine

There total 12 articles about 2-(3,4-dihydroisoquinolin-2(1H)-yl)ethanamine 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: 100.0%

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile (91349-97-2) → 2-(2-aminoethyl)-1,2,3,4-tetrahydroisoquinoline (53356-51-7)

Guidance literature:

DOI:10.1016/j.bmcl.2003.09.083

Reference yield: 100.0%

→ 2-(2-aminoethyl)-1,2,3,4-tetrahydroisoquinoline (53356-51-7)

Guidance literature:

Reference yield: 92.0%

2-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl)isoindoline-1,3-dione → 2-(2-aminoethyl)-1,2,3,4-tetrahydroisoquinoline (53356-51-7)

Guidance literature:

With hydrazine hydrate; In ethanol; at 20 ℃; Reflux;

DOI:10.1021/acs.jmedchem.9b01012

upstream raw materials:

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)acetonitrile

1,2,3,4-tetrahydroisoquinoline

2-bromoethylamine hydrobromide

chloroethylamine

Downstream raw materials:

N-[2-(1,2,3,4-tetrahydro-2-isoquinolyl)-ethyl]-4-amino-5-chloro-2-methoxybenzamide

perfluorophenyl 4-(4-(4-(5-(2-(3,4-dihydroisoquinolin-2(1H)-yl)ethylcarbamoyl)-1-methyl-1H-pyrrol-3-ylcarbamoyl)benzoyl)benzamido)-1-methyl-1H-pyrrole-2-carboxylate