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

Base Information

• Chemical Name: 3-(3-Chlorophenyl)propan-1-ol
• CAS No.: 22991-03-3
• Molecular Formula: C9H11 Cl O
• Molecular Weight: 170.639
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID50433708
• Wikidata: Q82247917
• Mol file: 22991-03-3.mol

Synonyms:3-(3-chlorophenyl)propan-1-ol;22991-03-3;3-(3-chlorophenyl)-1-propanol;3-(3-chloro-phenyl)-propan-1-ol;Benzenepropanol, 3-chloro-;3-(3-Chlorophenyl)propanol;SCHEMBL82224;DTXSID50433708;XPEMWIXPCKLTBK-UHFFFAOYSA-N;XAA99103;AB3572;MFCD09028713;AKOS005217825;SB83965;AS-44723;CS-0212562;EN300-307044;A816463

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

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 270.691°C at 760 mmHg
• Flash Point: 117.51°C
• PSA: 20.23000
• Density: 1.151g/cm³
• LogP: 2.26490
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 170.0498427
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCCO

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

There total 16 articles about 3-(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: 100.0%

3-chlorohydrocinnamic acid (21640-48-2) → 3-(3-chlorophenyl)propanol (22991-03-3)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

DOI:10.1021/jm501719e

Reference yield: 94.0%

3-(3-chlorophenyl)acrylaldehyde (56578-37-1,770-23-0) → 3-(3-chlorophenyl)propanol (22991-03-3)

Guidance literature:

With chlorine[2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyridine](pentamethylcyclopentadienyl)iridium(III) chloride; sodium formate; In water; at 80 ℃; for 0.5h; chemoselective reaction; Schlenk technique;

DOI:10.1021/acs.organomet.9b00353

Reference yield: 57.7%

m-Chlorocinnamic acid (1866-38-2,14473-90-6) → 3-(3-chlorophenyl)propanol (22991-03-3)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; for 4.5h; Inert atmosphere; Reflux; Cooling with ice;

DOI:10.1016/j.bmcl.2016.01.088

upstream raw materials:

3-(3-chlorophenyl)propionic acid methyl ester

ethyl 3-(3-chlorophenyl)propanoate

1-allyl-3-chlorobenzene

ethyl (E)-3-(3-chlorophenyl)prop-2-enoate

Downstream raw materials:

1-Chlor-3-<3-chlor-phenyl>-propan

3-<3-Chlorphenyl>-1-jod-propan

3-(3-chlorophenyl)propyl 4-methylbenzenesulfonate