3-(2,4-Dichlorophenoxy)-1,2-propanediol

Base Information

• Chemical Name: 3-(2,4-Dichlorophenoxy)-1,2-propanediol
• CAS No.: 34646-53-2
• Molecular Formula: C9H10 Cl2 O3
• Molecular Weight: 237.083
• NSC Number: 14598
• Nikkaji Number: J50.793H
• ChEMBL ID: CHEMBL3277194
• Mol file: 34646-53-2.mol

Synonyms:34646-53-2;3-(2,4-Dichlorophenoxy)-1,2-propanediol;NSC 14598;BRN 2454341;AI3-13148;1,2-Propanediol, 3-(2,4-dichlorophenoxy)-;NSC14598;4-06-00-00895 (Beilstein Handbook Reference);CHEMBL3277194;SCHEMBL10432959;1, 3-(2,4-dichlorophenoxy)-;NSC-14598;AKOS017359011

Chemical Property of 3-(2,4-Dichlorophenoxy)-1,2-propanediol

Chemical Property:

• Vapor Pressure: 4.98E-07mmHg at 25°C
• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 194.1°C
• PSA: 49.69000
• Density: 1.43g/cm³
• LogP: 1.72540
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 236.0006996
• Heavy Atom Count: 14
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

3-(2,4-DICHLOROPHENOXY)-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(CO)O

Technology Process of 3-(2,4-Dichlorophenoxy)-1,2-propanediol

There total 4 articles about 3-(2,4-Dichlorophenoxy)-1,2-propanediol 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: 33.0%

oxiranyl-methanol (556-52-5) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 3-(2,4-dichloro-phenoxy)-propane-1,2-diol (34646-53-2)

Guidance literature:

With triethylamine; In ethanol; Heating;

DOI:10.1023/A:1015561532507

Reference yield:

DL-1-(2,4-Dichlor-phenoxy)-3-<2-(3,4-dimethoxyphenyl)-ethylamino>propan-2-ol (104970-08-3) → 2,4-Dichlorophenoxyacetic acid (94-75-7,89300-30-1) + 1-Amino-3-(2,4-dichloro-phenoxy)-propan-2-ol (23106-02-7) + 3-(2,4-dichloro-phenoxy)-propane-1,2-diol (34646-53-2) + 2-(3,4-dimethoxyphenyl)-ethylamine (120-20-7) + 4-{2-[3-(2,4-Dichloro-phenoxy)-2-hydroxy-propylamino]-ethyl}-2-methoxy-phenol (121185-84-0) + 2,4-dichlorophenol (120-83-2,40477-79-0)

Guidance literature:

biotransformation;

Reference yield:

3-monochloro-1,2-propanediol (96-24-2) + 2,4-dichlorophenol (120-83-2,40477-79-0) → 3-(2,4-dichloro-phenoxy)-propane-1,2-diol (34646-53-2)

Guidance literature:

With sodium hydroxide;

DOI:10.1039/jr9540003669

upstream raw materials:

3-monochloro-1,2-propanediol

2,4-dichlorophenol

DL-1-(2,4-Dichlor-phenoxy)-3-<2-(3,4-dimethoxyphenyl)-ethylamino>propan-2-ol

oxiranyl-methanol

Downstream raw materials:

5-(2,4-dichloro-phenoxymethyl)-oxazolidin-2-one

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