1-(3-Chlorophenyl)propan-1-ol

Base Information

• Chemical Name: 1-(3-Chlorophenyl)propan-1-ol
• CAS No.: 32019-30-0
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• European Community (EC) Number: 917-768-6
• DSSTox Substance ID: DTXSID001303239
• Nikkaji Number: J994.352H
• ChEMBL ID: CHEMBL2251656
• Mol file: 32019-30-0.mol

Synonyms:1-(3-chlorophenyl)propan-1-ol;32019-30-0;1-(3-Chlorophenyl)-1-propanol;(R)-(+)-1-(3'-chlorophenyl)propan-1-ol;SCHEMBL867222;CHEMBL2251656;DTXSID001303239;3-Chloro-alpha-ethylbenzenemethanol;AKOS000249012;AKOS022300220;SB84021;CS-0218042;EN300-98810;N12311;Z335245132

Chemical Property of 1-(3-Chlorophenyl)propan-1-ol

Chemical Property:

• Boiling Point: 75 - 76 °C (0.4 mmHg)
• PSA: 20.23000
• LogP: 2.78340
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

1-(3-Chlorophenyl)propan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC(=CC=C1)Cl)O

Technology Process of 1-(3-Chlorophenyl)propan-1-ol

There total 20 articles about 1-(3-Chlorophenyl)propan-1-ol 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%

diethylzinc (557-20-0) + m-Chlorobenzaldehyde (587-04-2) → (R)-1-(3-chlorophenyl)propan-1-ol (32019-30-0,112777-67-0) + (S)-1-(3-chlorophenyl)propan-1-ol (172748-80-0)

Guidance literature:

With N-{(1S,2S)-2-[(dimethylamino)methyl]cyclohexyl}-4-methylbenzenesulfonamide; In hexane; toluene; at 0 ℃; for 24h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;

DOI:10.1021/jo200834n

Reference yield: 99.0%

→ (+/-)-1-(3'-chlorophenyl)propan-1-ol (32019-30-0)

Guidance literature:

With C₃₇H₄₃MoN₃O₂P; sodium triethylborohydride; isopropyl alcohol; sodium hydroxide; In tetrahydrofuran; at 90 ℃; for 2h; Schlenk technique; Inert atmosphere;

Reference yield: 99.0%

→ (R)-1-(3-chlorophenyl)propan-1-ol (32019-30-0,112777-67-0)

Guidance literature:

upstream raw materials:

ethylmagnesium bromide

m-Chlorobenzaldehyde

3'-chloro-propiophenone

ethyl bromide

Downstream raw materials:

3'-chloro-propiophenone

(R)-(+)-1-(3'-chlorophenyl)propyl acetate

(R)-1-(3-chlorophenyl)propan-1-ol

(S)-1-(3-chlorophenyl)propan-1-ol

Refernces

• 1、 Cacho, Vanessa R. G.,Costa, Dora C. S.,Murtinho, Dina,Nunes, Sandra C. C.,Pais, Alberto A. C. C.,Silva Serra, M. Elisa,Tavares, Nélia C. T.. "Deciphering the mechanism behind efficient enantioselective ethylation with thiazolidine-based amino alcohols". . . Retrieved 2022/01/08.
• 2、 Aydin, A. E.. "Enantioselective Addition of Diethylzinc to Aromatic Aldehydes Using Novel Thiophene-Based Chiral Ligands". . p. 901 - 909. Retrieved 2020/07/03.