2-(4-Aminophenoxy)-2-methylpropanoic acid

Base Information

• Chemical Name: 2-(4-Aminophenoxy)-2-methylpropanoic acid
• CAS No.: 117011-70-8
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID60379300
• Wikidata: Q72440393
• Mol file: 117011-70-8.mol

Synonyms:2-(4-aminophenoxy)-2-methylpropanoic acid;117011-70-8;2-(4-Aminophenoxy)-2-methylpropionic acid;Propanoic acid, 2-(4-aminophenoxy)-2-methyl-;AB1105;4-aminophenoxyisobutyric acid;SCHEMBL787522;DTXSID60379300;JTARICLTMYASES-UHFFFAOYSA-N;BCP31402;MFCD00084883;AKOS015914678;2-(4-aminophenoxy)-2-methylpropanoicacid;AS-44516;2-(4-aminophenoxy)-2-methyl propionic acid;CS-0008469;A803699;2-(4-aminophenoxy)-2-methylpropionic acid, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 5.9E-06mmHg at 25°C
• Melting Point: 214-216 °C (decomp)
• Refractive Index: 1.571
• Boiling Point: 364.6 °C at 760 mmHg
• PKA: 3.08±0.10(Predicted)
• Flash Point: 174.3 °C
• PSA: 72.55000
• Density: 1.22 g/cm³
• LogP: 2.09200
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

2-(4-Aminophenoxy)-2-methylpropanoic acid 95.0% ^*data from reagent suppliers

Safty Information:

• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 11 articles about 2-(4-Aminophenoxy)-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: 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

Reference yield: 87.0%

2-<4-<(ethoxycarbonyl)amino>phenoxy>-2-methylpropionic acid (121809-55-0) → 2-(4-aminophenoxy)-2-methyl propionic acid (117011-70-8)

Guidance literature:

With potassium hydroxide; for 0.5h; Heating;

DOI:10.1021/jm00130a021

Reference yield: 62.0%

2-(4-acetaminophenoxy)-2-methylpropionic acid (17413-84-2) → 2-(4-aminophenoxy)-2-methyl propionic acid (117011-70-8)

Guidance literature:

With potassium hydroxide; for 0.5h; Heating;

DOI:10.1021/jm00106a041

upstream raw materials:

2-(4-nitrophenoxy)-2-methylpropanoic acid

2-(4-acetaminophenoxy)-2-methylpropionic acid

2-(4-carbamoylphenoxy)-2-methylpropionic acid

2-<4-<(ethoxycarbonyl)amino>phenoxy>-2-methylpropionic acid

Downstream raw materials:

4-(2,4,6-trimethylphenylureido)phenoxyisobutyric acid

4-(4-ethylcarbamatophenylureido)phenoxyisobutyric acid

2-{4-[3-(2,5-Dichloro-phenyl)-ureido]-phenoxy}-2-methyl-propionic acid

2-{4-[2-(4-Chloro-benzoylamino)-acetylamino]-phenoxy}-2-methyl-propionic acid

Refernces

• 1、 -. "Use of allosteric hemoglobin modifiers in combination with radiation therapy to treat carcinogenic tumors". . . Retrieved 2008/06/13.
• 2、 -. "Allosteric modifiers of hemoglobin". . . Retrieved 2008/06/13.