2-Methylbenzhydrol, (+)-

Base Information

• Chemical Name: 2-Methylbenzhydrol, (+)-
• CAS No.: 1517-59-5
• Molecular Formula: C14H14O
• Molecular Weight: 198.265
• UNII: D5DI843T9U
• DSSTox Substance ID: DTXSID40164852
• Nikkaji Number: J62.109I
• Wikidata: Q27276118
• Mol file: 1517-59-5.mol

Synonyms:(+)-2-Methylbenzhydrol;2-Methylbenzhydrol, (+)-;(S)-2-Methylbenzhydrol;UNII-D5DI843T9U;Benzhydrol, 2-methyl-, (S)-(+)-;D5DI843T9U;1517-59-5;(S)-2-Methyl-alpha-phenylbenzenemethanol;(alphaS)-(+)-2-Methyl-alpha-phenylbenzenemethanol;Benzenemethanol, 2-methyl-alpha-phenyl-, (alphaS)-;DTXSID40164852;MFCD16621861;(S)-2-Methyl alpha-phenyl benzylalcohol, ee 99%;(S)-2-METHYL-.ALPHA.-PHENYLBENZENEMETHANOL;Q27276118;(.ALPHA.S)-(+)-2-METHYL-.ALPHA.-PHENYLBENZENEMETHANOL;BENZENEMETHANOL, 2-METHYL-.ALPHA.-PHENYL-, (.ALPHA.S)-

Chemical Property of 2-Methylbenzhydrol, (+)-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 184

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(C2=CC=CC=C2)O
• Isomeric SMILES: CC1=CC=CC=C1[C@H](C2=CC=CC=C2)O

Technology Process of 2-Methylbenzhydrol, (+)-

There total 92 articles about 2-Methylbenzhydrol, (+)- 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: 99.0%

2-Methylbenzophenone (131-58-8) → (R)-o-methylbenzhydrol (1517-59-5,5472-13-9,127309-00-6,1517-58-4)

Guidance literature:

With C₃₈H₃₈IrN₄S₂⁽¹⁺⁾*F₆P^(1-); ammonium formate; 3-methyl-5-p-methoxyphenyl-1-hydropyrazole; In tetrahydrofuran; water; at 40 ℃; for 24h; enantioselective reaction;

DOI:10.1039/c6cc00972g

Reference yield: 98.0%

2-Methylbenzophenone (131-58-8) → (R)-o-methylbenzhydrol (1517-59-5,5472-13-9,127309-00-6,1517-58-4) + 2-methyl-(S)-benzhydrol (1517-59-5)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; N-((1R,2R)-2-(((R)-1-(2-(bis(3,5-dimethylphenyl)phosphanyl)ferrocenyl)ethyl)amino)cyclohexyl)-2,4,6-trimethylbenzenesulfonamide; hydrogen; lithium tert-butoxide; In isopropyl alcohol; at 25 - 30 ℃; for 12h; under 22801.5 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.joc.8b01276

Reference yield: 98.0%

2-Methylbenzophenone (131-58-8) → (R)-o-methylbenzhydrol (1517-59-5,5472-13-9,127309-00-6,1517-58-4) + 2-methyl-(S)-benzhydrol (1517-59-5)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; N-((1R,2R)-2-(((R)-1-(2-(bis(3,5-dimethylphenyl)phosphanyl)ferrocenyl)ethyl)amino)cyclohexyl)-2,4,6-trimethylbenzenesulfonamide; hydrogen; lithium tert-butoxide; In isopropyl alcohol; at 25 - 30 ℃; for 12h; under 22801.5 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.joc.8b01276

upstream raw materials:

2-Methylbenzophenone

2-methylphenyl aldehyde

diphenylzinc

tert-butyl-diphenyl-(phenyl-o-tolyl-methoxy)-silane

Downstream raw materials:

(R)-N,N-dimethyl-N-{2-[1-(2-methylphenyl)-1-phenylmethoxy]ethyl}amine