1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Base Information

• Chemical Name: 1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS No.: 5464-92-6
• Molecular Formula: C15H15 N . Cl H
• Molecular Weight: 209.29
• Hs Code.: 2933499090
• European Community (EC) Number: 611-179-5
• ChEMBL ID: CHEMBL1562024
• NSC Number: 27171
• Mol file: 5464-92-6.mol

Synonyms:5464-92-6;1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride;1-phenyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride;1-phenyl-1,2,3,4-tetrahydroisoquinoline HCl;MLS000764831;SCHEMBL1735508;CHEMBL1562024;NSC27171;NSC-27171;AKOS005170667;SMR000290436;CS-0363801;FT-0698562;EN300-72263;SR-01000324533;SR-01000324533-1;1-Phenyl-1,2,3,4-tetrahydroisoquinolinehydrochloride

Chemical Property of 1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

Chemical Property:

• Vapor Pressure: 8.16E-06mmHg at 25°C
• Boiling Point: 369.4°C at 760 mmHg
• Flash Point: 177.2°C
• PSA: 12.03000
• LogP: 4.05250
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.0971272
• Heavy Atom Count: 17
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

1-Phenyl-1,2,3,4-tetrahydroisoquinolinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNC(C2=CC=CC=C21)C3=CC=CC=C3.Cl

Technology Process of 1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride

There total 3 articles about 1-Phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride 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: 90.0%

2-phenyl-tetrahydro-(2H)-1,3-oxazine (17762-72-0) + phenethylamine (64-04-0) → 1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (5464-92-6)

Guidance literature:

hydrogenchloride; In acetonitrile; for 2h; Heating;

Reference yield: 29.0%

1-phenyl-2-propylcarbamoyl-1,3,3,4-tetrahydroisoquinoline → 1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (5464-92-6)

Guidance literature:

With diborane; In tetrahydrofuran; for 24h; Ambient temperature;

Reference yield:

1-phenyl-2-propylcarbamoyl-1,4-dihydroisoquinolin-3(2H)-one (70436-95-2) → 1-phenyl-1,2,3,4-tetrahydroisoquinoline hydrochloride (5464-92-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / B₂H₆ / tetrahydrofuran / 2 h / 25 °C

2: 29 percent / B₂H₆ / tetrahydrofuran / 24 h / Ambient temperature

With diborane; In tetrahydrofuran;

upstream raw materials:

2-phenyl-tetrahydro-(2H)-1,3-oxazine

phenethylamine

1-phenyl-2-propylcarbamoyl-1,4-dihydroisoquinolin-3(2H)-one

Refernces

• 1、 Zara-Kaczian, Erzsebet,Deak, Gyula,Toth, Gabor. "SELECTIVE REDUCTION of 2-CARBAMOYL-1-PHENYL-1,4-DIHYDROISOQUINOLIN-3(2H)-ONES". . p. 2533 - 2555. Retrieved 2007/10/02.