2-(2,4-Dichlorophenoxy)propanoyl chloride

Base Information

• Chemical Name: 2-(2,4-Dichlorophenoxy)propanoyl chloride
• CAS No.: 58048-37-6
• Molecular Formula: C9H7Cl3O2
• Molecular Weight: 253.512
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID20558730
• Mol file: 58048-37-6.mol

Synonyms:2-(2,4-DICHLOROPHENOXY)PROPANOYL CHLORIDE;58048-37-6;SCHEMBL6704326;DTXSID20558730;ONQSXERGNKDILF-UHFFFAOYSA-N;MFCD00235220;AKOS005173228;VS-04677;2(RS)-(2,4-dichlorophenoxy)propionyl chloride;2-(2',4'-dichloro-phenoxy)-propionyl chloride

Chemical Property of 2-(2,4-Dichlorophenoxy)propanoyl chloride

Chemical Property:

• PSA: 26.30000
• LogP: 3.52610
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 251.951163
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,4-Dichlorophenoxy)propanoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)Cl)OC1=C(C=C(C=C1)Cl)Cl

Technology Process of 2-(2,4-Dichlorophenoxy)propanoyl chloride

There total 4 articles about 2-(2,4-Dichlorophenoxy)propanoyl chloride 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: 96.7%

→ 2-(2,4-dichloro-phenoxy)-propionyl chloride (58048-37-6)

Guidance literature:

Reference yield:

2-(2,4-dichlorophenoxy)propionic acid (120-36-5) → 2-(2,4-dichloro-phenoxy)-propionyl chloride (58048-37-6)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01148a074 DOI:10.1021/jf60066a003

Reference yield:

2,4-dichlorophenol (120-83-2,40477-79-0) → 2-(2,4-dichloro-phenoxy)-propionyl chloride (58048-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 33percent aq. NaOH / 1 h / Heating

2: SOCl₂ / CHCl₃ / 6 h / Heating

With sodium hydroxide; thionyl chloride; In chloroform;

upstream raw materials:

2-(2,4-dichlorophenoxy)propionic acid

2,4-dichlorophenol

sodium 2,4-dichlorophenolate

Downstream raw materials:

2-(2,4-dichloro-phenoxy)-propionic acid anilide

C₁₂H₁₃Cl₂NO₃

C₁₇H₁₅Cl₂NO₃

C₁₄H₁₇Cl₂NO₃

Refernces

• 1、 -. "Fenoxanil original drug synthesis method". Paragraph 0007-0009. . Retrieved 2018/02/04.
• 2、 Liu, Guohua,Yao, Mei,Xue, Yunning,Fang, Haibin,Cao, Xiaowei. "Facile one-pot reaction for the regioselective syntheses of 2H-[1,2,4]thiadiazolo[2,3-α]pyrimidine derivatives". . p. 655 - 660. Retrieved 2008/09/20.