2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic acid

Base Information

• Chemical Name: 2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic acid
• CAS No.: 58336-61-1
• Molecular Formula: C17H18ClNO3
• Molecular Weight: 319.788
• DSSTox Substance ID: DTXSID60605530
• Wikidata: Q82503822

Synonyms:58336-61-1;SCHEMBL11449198;DTXSID60605530;ZCCDFDBNRCYYSY-UHFFFAOYSA-N;2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic acid;2-[4-(4-chloroanilinomethyl)-phenoxy]-2-methylpropionic acid;2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionic acid

Chemical Property of 2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic acid

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 319.0975211
• Heavy Atom Count: 22
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)CNC2=CC=C(C=C2)Cl

Technology Process of 2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic acid

There total 4 articles about 2-{4-[(4-Chloroanilino)methyl]phenoxy}-2-methylpropanoic 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:

4-(((4-chlorophenyl)amino)methyl)phenol (58336-45-1) + 1,1,1-trichloro-2-methyl-2-propanol (57-15-8) → 2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionic acid (58336-61-1)

Guidance literature:

With potassium hydroxide; sodium chloride; sodium hydrogencarbonate; In di-isopropyl ether; water; ethyl acetate; acetone;

Reference yield:

4-(((4-chlorophenyl)amino)methyl)phenol (58336-45-1) → 2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionic acid (58336-61-1)

Guidance literature:

With potassium hydroxide; sodium hydrogencarbonate; In chloroform; water; acetone;

Reference yield:

ethyl 2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionate (58336-46-2) → 2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionic acid (58336-61-1)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In ethanol; water;

upstream raw materials:

4-(((4-chlorophenyl)amino)methyl)phenol

1,1,1-trichloro-2-methyl-2-propanol

ethyl 2-[4-(4-chloroanilinomethyl)phenoxy]-2-methylpropionate

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