2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid

Base Information

• Chemical Name: 2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid
• CAS No.: 17959-86-3
• Molecular Formula: C18H15ClF3NO4
• Molecular Weight: 401.7642
• DSSTox Substance ID: DTXSID80939243
• Mol file: 17959-86-3.mol

Synonyms:BRN 2403264;2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid;BUTYRIC ACID, 2-(4-CHLORO-2-(alpha,alpha,alpha-TRIFLUORO-m-TOLUAMIDO)PHENOXY)-;17959-86-3;C18H15ClF3NO4;DTXSID80939243;C18-H15-Cl-F3-N-O4;LS-47928;2-[4-Chloro-2-({hydroxy[3-(trifluoromethyl)phenyl]methylidene}amino)phenoxy]butanoic acid

Chemical Property of 2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid

Chemical Property:

• Vapor Pressure: 1.43E-08mmHg at 25°C
• Boiling Point: 441.5°Cat760mmHg
• Flash Point: 220.8°C
• Density: 1.423g/cm³
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 401.0641701
• Heavy Atom Count: 27
• Complexity: 531

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C(=O)O)OC1=C(C=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)C(F)(F)F

Technology Process of 2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid

There total 4 articles about 2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid 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:

3-(Trifluoromethyl)benzoyl chloride (2251-65-2) → 2-[4-Chloro-2-(3-trifluoromethyl-benzoylamino)-phenoxy]-butyric acid (17959-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: PhNMe₂

2: (i) NaOnBu, NaI, nBuOH, (ii) aq. NaOH

With N,N-dimethyl-aniline;

DOI:10.1111/j.2042-7158.1970.tb12754.x

Reference yield:

2-hydroxy-5-chloro-aniline (95-85-2) → 2-[4-Chloro-2-(3-trifluoromethyl-benzoylamino)-phenoxy]-butyric acid (17959-86-3)

Guidance literature:

Multi-step reaction with 2 steps

1: PhNMe₂

2: (i) NaOnBu, NaI, nBuOH, (ii) aq. NaOH

With N,N-dimethyl-aniline;

DOI:10.1111/j.2042-7158.1970.tb12754.x

Reference yield:

ethyl 2-chlorobutyrate (7425-45-8) + N-(5-Chloro-2-hydroxy-phenyl)-3-trifluoromethyl-benzamide (17956-67-1) → 2-[4-Chloro-2-(3-trifluoromethyl-benzoylamino)-phenoxy]-butyric acid (17959-86-3)

Guidance literature:

Multistep reaction; (i) NaOnBu, NaI, nBuOH, (ii) aq. NaOH;

DOI:10.1111/j.2042-7158.1970.tb12754.x

upstream raw materials:

ethyl 2-chlorobutyrate

N-(5-Chloro-2-hydroxy-phenyl)-3-trifluoromethyl-benzamide

3-(Trifluoromethyl)benzoyl chloride

2-hydroxy-5-chloro-aniline