2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid

Base Information

Chemical Name:2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid
CAS No.:117011-50-4
Molecular Formula:C17H16 Cl2 N2 O4
Molecular Weight:383.23
Hs Code.:
DSSTox Substance ID:DTXSID60151668
Nikkaji Number:J374.337C
Wikidata:Q83018172
ChEMBL ID:CHEMBL77193
Mol file:117011-50-4.mol

Synonyms:2-(4-(3,4-dichlorophenylureido)phenoxy)-2-methylpropionic acid;LR 16;LR-16;LR16

Suppliers and Price of 2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid

Chemical Property:

Vapor Pressure:3.28E-09mmHg at 25°C
Boiling Point:458.7°C at 760 mmHg
Flash Point:231.2°C
PSA：91.15000
Density:1.462g/cm³
LogP:4.96600
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:382.0487124
Heavy Atom Count:25
Complexity:481

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)NC(=O)NC2=CC(=C(C=C2)Cl)Cl

Technology Process of 2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic acid

There total 9 articles about 2-(4-(3,4-Dichlorophenylureido)phenoxy)-2-methylpropionic 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: 80.0%

: 117011-70-8
2-(4-aminophenoxy)-2-methyl propionic acid

: 102-36-3
3,4-dichlorophenylisocyanate

: 117011-50-4
2-{4-[N'-(4,5-dichlorophenyl)ureido]phenoxy}isobutyric acid

Guidance literature:: With sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm00130a021

Reference yield:

: 7159-95-7
(4-hydroxyphenyl)carbamic acid ethyl ester

: 117011-50-4
2-{4-[N'-(4,5-dichlorophenyl)ureido]phenoxy}isobutyric acid

Guidance literature:: Multi-step reaction with 3 steps

1: 48 percent / NaOH / 4 h / Heating

2: 87 percent / 10percent KOH / 0.5 h / Heating

3: 80 percent / 2 N NaOH / tetrahydrofuran

With potassium hydroxide; sodium hydroxide; In tetrahydrofuran;
DOI:10.1021/jm00130a021

Reference yield:

: 123-30-8
4-amino-phenol

: 117011-50-4
2-{4-[N'-(4,5-dichlorophenyl)ureido]phenoxy}isobutyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine / Ambient temperature

2: NaOH / Heating

With sodium hydroxide; In pyridine;
DOI:10.1021/jm00130a021