1-(2-Chlorophenyl)propan-1-ol

Base Information

• Chemical Name: 1-(2-Chlorophenyl)propan-1-ol
• CAS No.: 22869-35-8
• Molecular Formula: C9H11ClO
• Molecular Weight: 170.639
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID00402242
• Nikkaji Number: J3.020.639H
• Mol file: 22869-35-8.mol

Synonyms:1-(2-chlorophenyl)propan-1-ol;22869-35-8;1-(2-Chlorophenyl)-1-propanol;1-(2-CHLOROPHENYL)-1-PROPANOL 95;SCHEMBL866713;DTXSID00402242;UBOFXBQTRQSKMY-UHFFFAOYSA-N;1-(2-Chlorophenyl)-propan-1-ol;AKOS010259064;CS-0378148;FT-0763352;1-(2-CHLOROPHENYL)-1-PROPANOL, 95%;N14413

Chemical Property of 1-(2-Chlorophenyl)propan-1-ol

Chemical Property:

• Refractive Index: n20/D >1.5390(lit.)
• Boiling Point: 248-249oC(lit.)
• Flash Point: >230 °F
• PSA: 20.23000
• Density: 1.145 g/mL at 25oC(lit.)
• LogP: 2.78340
• 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:

97% ^*data from raw suppliers

1-(2-CHLOROPHENYL)-1-PROPANOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1Cl)O

Technology Process of 1-(2-Chlorophenyl)propan-1-ol

There total 5 articles about 1-(2-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: 93.0%

diethylzinc (557-20-0) + 2-chloro-benzaldehyde (89-98-5) → 2-chloro-α-ethylbenzyl alcohol (22869-35-8)

Guidance literature:

diethylzinc; With N,N'-bis((R,R)-2-diethylaminocyclohexyl)oxalylamide; In toluene; at 20 ℃; for 0.5h; Inert atmosphere;

2-chloro-benzaldehyde; In toluene; at 20 ℃; for 24h; Reagent/catalyst; enantioselective reaction; Inert atmosphere;

DOI:10.1007/s11172-012-0008-7

Reference yield: 85.0%

2-chloropropiophenone (6323-18-8) → 2-chloro-α-ethylbenzyl alcohol (22869-35-8)

Guidance literature:

With dimethylsulfide borane complex; In diethyl ether; for 24h; Heating; further reducing agents;

DOI:10.1055/s-1982-29920

Reference yield: 65.0%

ethylmagnesium bromide (925-90-6) + 2-chloro-benzaldehyde (89-98-5) → 2-chloro-α-ethylbenzyl alcohol (22869-35-8)

Guidance literature:

ethylmagnesium bromide; 2-chloro-benzaldehyde; In tetrahydrofuran; at -78 - 20 ℃; for 0.333333h;

at 20 ℃; for 4h;

DOI:10.1016/j.tet.2007.01.010

upstream raw materials:

2-chloropropiophenone

ethylmagnesium bromide

2-chloro-benzaldehyde

diethylzinc

Downstream raw materials:

2-bromo-2'-chloropropiophenone

2-chloropropiophenone

2-chloropiophenone 4-methylphenylsulfonylhydrazone

Refernces

• 1、 Werner, Thomas,Bauer, Matthias,Riahi, Abdol Majid,Schramm, Heiko. "A catalytic system for the activation of diorganozinc reagents". . p. 4876 - 4883. Retrieved 2014/08/05.
• 2、 Werner, Thomas,Riahi, Abdol Majid,Schramm, Heiko. "Phosphonium salt catalyzed addition of diethylzinc to aldehydes". experimental part. p. 3482 - 3490. Retrieved 2011/12/04.