1,3-Bis(2-chlorophenoxy)propan-2-ol

Base Information

• Chemical Name: 1,3-Bis(2-chlorophenoxy)propan-2-ol
• CAS No.: 57641-50-6
• Molecular Formula: C15H14Cl2O3
• Molecular Weight: 313.18
• NSC Number: 87005
• DSSTox Substance ID: DTXSID40293055
• Wikidata: Q82031624
• Mol file: 57641-50-6.mol

Synonyms:57641-50-6;1,3-bis(2-chlorophenoxy)propan-2-ol;NSC87005;NCIOpen2_009471;DTXSID40293055;NSC-87005

Chemical Property of 1,3-Bis(2-chlorophenoxy)propan-2-ol

Chemical Property:

• Vapor Pressure: 6.88E-09mmHg at 25°C
• Boiling Point: 450.1°Cat760mmHg
• Flash Point: 226°C
• Density: 1.323g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 312.0319997
• Heavy Atom Count: 20
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)OCC(COC2=CC=CC=C2Cl)O)Cl

Technology Process of 1,3-Bis(2-chlorophenoxy)propan-2-ol

There total 2 articles about 1,3-Bis(2-chlorophenoxy)propan-2-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: 45.0%

2-monochlorophenol (95-57-8) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 1,3-bis(2-chlorophenoxy)propan-2-ol (57641-50-6)

Guidance literature:

With sodium hydroxide; In water; at 60 ℃; for 14h;

DOI:10.1007/s00044-017-1805-1

Reference yield:

→ 1,3-bis(2-chlorophenoxy)propan-2-ol (57641-50-6)

Guidance literature:

1-Chlor-3-(2-chlorphenoxy)-propanol-2, 2-Chlorphenol-Na;

Reference yield:

1,3-bis(2-chlorophenoxy)propan-2-ol (57641-50-6) → 1,3-Bis-(2-chloro-phenoxy)-propan-2-one (57654-86-1)

Guidance literature:

With dimethyl sulfoxide; dicyclohexyl-carbodiimide; trifluoroacetic acid; In pyridine; diethyl ether;

DOI:10.1021/jm00224a006

upstream raw materials:

2-monochlorophenol

epichlorohydrin

Downstream raw materials:

1,3-Bis-(2-chloro-phenoxy)-propan-2-one

Refernces

• 1、 Lavorato, Stefania N.,Duarte, Mariana C.,Lage, Daniela P.,Tavares, Carlos A. P.,Coelho, Eduardo A. F.,Alves, Ricardo J.. "1,3-Bis(aryloxy)propan-2-ols as potential antileishmanial agents". . p. 981 - 986. Retrieved 2017/10/05.