(S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol

Base Information

• Chemical Name: (S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol
• CAS No.: 140408-82-8
• Molecular Formula: C₂₂H₂₁NO
• Molecular Weight: 315.415
• European Community (EC) Number: 621-497-6
• DSSTox Substance ID: DTXSID70456752
• Nikkaji Number: J502.728D
• Wikidata: Q76416706
• Mol file: 140408-82-8.mol

Synonyms:140408-82-8;(S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol;diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol;3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-alpha,alpha-diphenyl-, (3S)-;SCHEMBL8084804;DTXSID70456752;RHDBEHVNWCDLDP-NRFANRHFSA-N;J-007386;Diphenyl[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol;(S)-()-1,2,3,4-Tetrahydro-,-diphenyl-3-isoquinolinemethanol;(3S)-alpha,alpha-Diphenyl-1,2,3,4-tetrahydroisoquinoline-3-methanol;(S)-(-)-1,2,3,4-Tetrahydro- alpha , alpha -diphenyl-3-isoquinolinemethanol;(S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol, 97%

Chemical Property of (S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 104-107 °C(lit.)
• Refractive Index: 1.627
• Boiling Point: 501.8°Cat760mmHg
• PKA: 12.95±0.29(Predicted)
• Flash Point: 142.1°C
• PSA: 32.26000
• Density: 1.159g/cm³
• LogP: 3.96580
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 315.162314293
• Heavy Atom Count: 24
• Complexity: 379

Purity/Quality:

98%,99%, ^*data from raw suppliers

(S)-(?)-1,2,3,4-Tetrahydro-α,α-diphenyl-3-isoquinolinemethanol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(NCC2=CC=CC=C21)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
• Isomeric SMILES: C1[C@H](NCC2=CC=CC=C21)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Technology Process of (S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol

There total 2 articles about (S)-(-)-1,2,3,4-Tetrahydro-alpha,alpha-diphenyl-3-isoquinolinemethanol 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:

C29H27NO (1219687-54-3) → (S)-α,α-diphenyl-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (140408-82-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; under 760.051 Torr;

DOI:10.1002/ejoc.200901159

Reference yield:

phenylmagnesium bromide + (S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, phenylmethylester (77497-96-2) → (S)-α,α-diphenyl-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanol (140408-82-8)

Guidance literature:

In diethyl ether; for 2h; Heating;

DOI:10.1016/S0957-4166(00)80196-2

upstream raw materials:

(S)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, phenylmethylester

C₂₉H₂₇NO

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