1-Phenyl-3,4-dihydroisoquinoline hydrochloride

Base Information

• Chemical Name: 1-Phenyl-3,4-dihydroisoquinoline hydrochloride
• CAS No.: 52250-51-8
• Molecular Formula: C15H13N.HCl
• Molecular Weight: 243.736
• Hs Code.: 2933499090
• European Community (EC) Number: 809-235-0
• ChEMBL ID: CHEMBL3246065
• Mol file: 52250-51-8.mol

Synonyms:52250-51-8;1-Phenyl-3,4-dihydroisoquinoline hydrochloride;1-Phenyl-3,4-dihydroisochinoline hydrochloride;3,4-Dihydro-1-phenylisoquinoline Hydrochloride;1-phenyl-3,4-dihydroisoquinoline;hydrochloride;Isoquinoline, 3,4-dihydro-1-phenyl-, hydrochloride;CHEMBL3246065;MFCD11558914;3,4-Dihydro-1-phenylisoquinoline HCl;AKOS000425429;CS-7013;1-Phenyl-3,4-dihydroisoquinolinehydrochloride;A918362

Chemical Property of 1-Phenyl-3,4-dihydroisoquinoline hydrochloride

Chemical Property:

• PSA: 12.36000
• LogP: 3.31770
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 243.0814771
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydro-1-phenylisoquinolineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3.Cl

Technology Process of 1-Phenyl-3,4-dihydroisoquinoline hydrochloride

There total 2 articles about 1-Phenyl-3,4-dihydroisoquinoline 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: 100.0%

(S)-N-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline (1422464-27-4) → 1-phenyl-3,4-dihydroisoquinoline hydrochloride (52250-51-8)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1021/op300343q

Reference yield: 93.0%

N-phenethylbenzamide (3278-14-6) → 1-phenyl-3,4-dihydroisoquinoline hydrochloride (52250-51-8)

Guidance literature:

N-phenethylbenzamide; With phosphorus pentoxide; trichlorophosphate; In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 5h;

With hydrogenchloride; In tert-butyl methyl ether; water; for 1h;

DOI:10.1021/op3000543

Reference yield: 95.0%

1-phenyl-3,4-dihydroisoquinoline hydrochloride (52250-51-8) → 1-phenyl-1,2,3,4-tetrahydroisoquinoline (22990-19-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃; for 3h;

DOI:10.1021/op300343q

upstream raw materials:

N-phenethylbenzamide

(S)-N-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Downstream raw materials:

phenyl(2-vinylphenyl)methanone

(S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(R)-(-)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

1-phenyl-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Ruzic, Milos,Pecavar, Anica,Prudic, Darja,Kralj, David,Scriban, Corina,Zanotti-Gerosa, Antonio. "The development of an asymmetric hydrogenation process for the preparation of solifenacin". experimental part. p. 1293 - 1300. Retrieved 2012/09/21.