2-Chloro-1-(4-methoxyphenyl)ethanol

Base Information

• Chemical Name: 2-Chloro-1-(4-methoxyphenyl)ethanol
• CAS No.: 134356-70-0
• Molecular Formula: C9H11ClO2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70511779
• Nikkaji Number: J2.995.133K
• Mol file: 134356-70-0.mol

Synonyms:2-chloro-1-(4-methoxyphenyl)ethanol;134356-70-0;(R)-2-CHLORO-1-(4-METHOXYPHENYL) ETHANOL;2-chloro-1-(4-methoxyphenyl)ethan-1-ol;SCHEMBL316182;DTXSID70511779;AKOS017514894;SB45406;2-chloranyl-1-(4-methoxyphenyl)ethanol;FT-0652145;EN300-1240167;A806769

Chemical Property of 2-Chloro-1-(4-methoxyphenyl)ethanol

Chemical Property:

• PSA: 29.46000
• LogP: 1.96740
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.0447573
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(CCl)O

Technology Process of 2-Chloro-1-(4-methoxyphenyl)ethanol

There total 30 articles about 2-Chloro-1-(4-methoxyphenyl)ethanol 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%

2-Chloro-4'-fluoroacetophenone (456-04-2) → [R]-1-chloro-2-(4-fluorophenyl)-2-ethanol (126534-43-8,134356-70-0)

Guidance literature:

2-Chloro-4'-fluoroacetophenone; With borane-THF; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; In tetrahydrofuran; at 20 ℃; for 105h; Inert atmosphere;

With methanol; In tetrahydrofuran; Inert atmosphere;

Reference yield: 99.0%

2-Chloro-4'-fluoroacetophenone (456-04-2) → (S)-1-chloro-2-hydroxy-2-(p-fluorophenyl)ethane (126534-42-7,134356-70-0)

Guidance literature:

With bis(1,5-cyclooctadiene)diiridium(I) dichloride; f-amphox; hydrogen; potassium carbonate; In ethanol; hexane; at 25 - 30 ℃; for 4h; under 38002.6 Torr; enantioselective reaction; Inert atmosphere; Glovebox; Autoclave;

DOI:10.1002/adsc.201800267

Reference yield: 96.0%

Chloroiodomethane (593-71-5) + 4-fluorobenzaldehyde (459-57-4) → 2-Chloro-1-(4-fluorophenyl)ethanol (61592-48-1,134356-70-0)

Guidance literature:

Chloroiodomethane; With TurboGrignard; In tetrahydrofuran; at -20 ℃; for 0.000277778h; Flow reactor;

4-fluorobenzaldehyde; In tetrahydrofuran; at -20 ℃; for 0.000444444h; Flow reactor;

DOI:10.1021/acs.orglett.0c02725

upstream raw materials:

2-Chloro-4'-fluoroacetophenone

para-fluorostyrene

Chloroiodomethane

4-fluorobenzaldehyde

Downstream raw materials:

S-(+)-2-chloro-1-(4-fluorophenyl)ethanol acetate

[R]-1-chloro-2-(4-fluorophenyl)-2-ethanol

1-(2-Chloro-1-fluoro-ethyl)-4-fluoro-benzene

(S)-1-chloro-2-hydroxy-2-(p-fluorophenyl)ethane

Refernces

• 1、 Escot, Lorena,González-Granda, Sergio,Gotor-Fernández, Vicente,Lavandera, Iván. "Unmasking the Hidden Carbonyl Group Using Gold(I) Catalysts and Alcohol Dehydrogenases: Design of a Thermodynamically-Driven Cascade toward Optically Active Halohydrins". . p. 2552 - 2560. Retrieved 2022/02/16.
• 2、 Fonseca, Thiago de Sousa,Vega, Kimberly Benedetti,da Silva, Marcos Reinaldo,de Oliveira, Maria da Concei??o Ferreira,de Lemos, Telma Leda Gomes,Contente, Martina Letizia,Molinari, Francesco,Cespugli, Marco,Fortuna, Sara,Gardossi, Lucia,de Mattos, Marcos Carlos. "Lipase mediated enzymatic kinetic resolution of phenylethyl halohydrins acetates: A case of study and rationalization". . . Retrieved 2020/02/18.