2-(4-Carbamoylphenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-Carbamoylphenoxy)-2-methylpropanoic acid
• CAS No.: 121809-54-9
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10379299
• Wikidata: Q82169037
• Mol file: 121809-54-9.mol

Synonyms:121809-54-9;2-(4-carbamoylphenoxy)-2-methylpropanoic acid;Propanoic acid, 2-[4-(aminocarbonyl)phenoxy]-2-methyl-;2-(4-Carbamoylphenoxy)-2-Methylpropionic Acid;2-[4-(Aminocarbonyl)phenoxy]-2-methylpropanoic acid;2-[4-Aminocarbonyl)phenoxy]-2-methylpropanoic acid;Maybridge1_001670;Oprea1_644078;SCHEMBL7823197;HMS546D20;DTXSID10379299;MFCD00084921;AKOS015911993;SB79645;AS-76846;CS-0154958;FT-0610877;2-(4-carbamoylphenoxy)-2-methylpropanoicacid;D94495;2-(4-CARBAMOYLPHENOXY)-2-METHYLPROPIONICACID;2-[4-(aminocarbonyl)phenoxy]-2-methylpropanoic acid, AldrichCPR

Chemical Property of 2-(4-Carbamoylphenoxy)-2-methylpropanoic acid

Chemical Property:

• Vapor Pressure: 9.1E-08mmHg at 25°C
• Melting Point: 202-204 °C(Solv: ethanol (64-17-5))
• Boiling Point: 418.9°Cat760mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 207.2°C
• PSA: 89.62000
• Density: 1.265g/cm³
• LogP: 1.72780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Carbamoylphenoxy)-2-methylpropanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(4-Carbamoylphenoxy)-2-methylpropanoic acid

There total 2 articles about 2-(4-Carbamoylphenoxy)-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: 88.0%

2-(4-cyanophenoxy)-2-methylpropionic acid (79925-16-9) → 2-(4-carbamoylphenoxy)-2-methylpropionic acid (121809-54-9)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In water;

DOI:10.1021/jm00130a021

Reference yield:

4-cyanophenol (767-00-0) → 2-(4-carbamoylphenoxy)-2-methylpropionic acid (121809-54-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / NaOH / a) 20 min, b) reflux, 4 h

2: 88 percent / 3percent H₂O₂, KOH / H₂O

With potassium hydroxide; sodium hydroxide; dihydrogen peroxide; In water;

DOI:10.1021/jm00130a021

Reference yield: 90.0%

2-(4-carbamoylphenoxy)-2-methylpropionic acid (121809-54-9) → 2-(4-aminophenoxy)-2-methyl propionic acid (117011-70-8)

Guidance literature:

With sodium hydroxide; bromine; In water; at 75 ℃; for 0.5h;

DOI:10.1021/jm00130a021

upstream raw materials:

2-(4-cyanophenoxy)-2-methylpropionic acid

4-cyanophenol

Downstream raw materials:

2-(4-aminophenoxy)-2-methyl propionic acid

2-<4<<<(3,5-dichlorophenyl)amino>carbonyl>amino>phenoxy>-2-methylpropionic acid

2-{4-[N'-(4,5-dichlorophenyl)ureido]phenoxy}isobutyric acid

4-(3,4,5-trichlorophenylureido)phenoxyisobutyric acid

Refernces