1-(3-Methoxyphenyl)-1-phenylethanol

Base Information

• Chemical Name: 1-(3-Methoxyphenyl)-1-phenylethanol
• CAS No.: 94001-64-6
• Molecular Formula: C15H16O2
• Molecular Weight: 228.291
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID50576765
• Nikkaji Number: J2.617.699I
• Mol file: 94001-64-6.mol

Synonyms:1-(3-Methoxyphenyl)-1-phenylethanol;94001-64-6;1-(3-methoxy-phenyl)-1-phenyl-ethanol;SCHEMBL18545739;AMY2363;DTXSID50576765;AKOS009997359;AC-3550;1-(3-Methoxyphenyl)-1-phenylethan-1-ol;A844784

Chemical Property of 1-(3-Methoxyphenyl)-1-phenylethanol

Chemical Property:

• Boiling Point: 366.6 °C at 760 mmHg
• Flash Point: 161.3 °C
• PSA: 29.46000
• Density: 1.099 g/cm³
• LogP: 2.95100
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 228.115029749
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

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

1-(3-Methoxyphenyl)-1-phenylethanol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)(C2=CC(=CC=C2)OC)O

Technology Process of 1-(3-Methoxyphenyl)-1-phenylethanol

There total 4 articles about 1-(3-Methoxyphenyl)-1-phenylethanol 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: 77.0%

phenylmagnesium bromide (100-58-3) + 1-(3-Methoxyphenyl)ethanone (586-37-8) → 1-(3-methoxy-phenyl)-1-phenyl-ethanol (94001-64-6)

Guidance literature:

phenylmagnesium bromide; With Et₂AlBr; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With titanium(IV) isopropylate; (S)-[1,1']-binaphthalenyl-2,2'-diol; In toluene; at 0 ℃; for 0.5h; Inert atmosphere;

1-(3-Methoxyphenyl)ethanone; Further stages;

DOI:10.1021/jo900348p

Reference yield:

methyllithium (917-54-4) → 1,1-diphenylethanol (599-67-7) + 1-(3-methoxy-phenyl)-1-phenyl-ethanol (94001-64-6)

Guidance literature:

In diethyl ether; at 0 ℃; competition reaction with bezophenone and 3-methoxy-benzophenone, relative velocity constant;

DOI:10.1021/ja00248a027

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 1-(3-Methoxyphenyl)ethanone (586-37-8) → 1-(3-methoxy-phenyl)-1-phenyl-ethanol (94001-64-6)

Guidance literature:

bromobenzene; With magnesium; ethylene dibromide; In tetrahydrofuran; at 20 ℃; for 2.16667h; Inert atmosphere;

1-(3-Methoxyphenyl)ethanone; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1021/ol303465c

upstream raw materials:

1-(3-Methoxyphenyl)ethanone

methyllithium

phenylmagnesium bromide

bromobenzene

Downstream raw materials:

1-methoxy-3-(1-phenylvinyl)benzene

Refernces

• 1、 Zhou, Shuangliu,Wu, Kuo-Hui,Chen, Chien-An,Gau, Han-Mou. "Highly enantioselective arylation of aldehydes and ketones using AlArEt2(THF) as aryl sources". supporting information; experimental part. p. 3500 - 3505. Retrieved 2009/09/30.