3-(4-Chlorophenoxy)-2-hydroxypropanoic acid

Base Information

• Chemical Name: 3-(4-Chlorophenoxy)-2-hydroxypropanoic acid
• CAS No.: 7698-98-8
• Deprecated CAS: 39657-09-5
• Molecular Formula: C9H9ClO4
• Molecular Weight: 216.6184
• NSC Number: 518713
• UNII: 0416BZS7QA
• DSSTox Substance ID: DTXSID70275960
• Wikidata: Q27247601
• Mol file: 7698-98-8.mol

Synonyms:7698-98-8;3-(4-chlorophenoxy)-2-hydroxypropanoic acid;0416BZS7QA;3-(4-chlorophenoxy)lactic acid;NSC-518713;3-(4-Chlorophenoxy)-2-hydroxypropionic acid;Propanoic acid, 2-hydroxy-, ethyl ester, (R)-;3-(P-CHLOROPHENOXY)LACTIC ACID;UNII-0416BZS7QA;SCHEMBL1548918;3-(p-chlorophenoxy)-lactic acid;DTXSID70275960;HYNAIYBUUSJFKL-UHFFFAOYSA-N;NSC518713;NSC 518713;3-(4-chloro-phenoxy)-2-hydroxy-propionic acid;Propanoic acid, 3-(4-chlorophenoxy)-2-hydroxy-;Q27247601;39657-09-5

Chemical Property of 3-(4-Chlorophenoxy)-2-hydroxypropanoic acid

Chemical Property:

• Vapor Pressure: 4.58E-06mmHg at 25°C
• Boiling Point: 368°Cat760mmHg
• Flash Point: 176.4°C
• Density: 1.435g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.0189365
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC(C(=O)O)O)Cl

Technology Process of 3-(4-Chlorophenoxy)-2-hydroxypropanoic acid

There total 7 articles about 3-(4-Chlorophenoxy)-2-hydroxypropanoic 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%

2-(4-Chloro-phenoxymethyl)-2-hydroxy-malonic acid (141921-18-8) → 3-(4-chlorophenoxy)-2-hydroxypropionic acid (7698-98-8)

Guidance literature:

In xylene; at 100 ℃; for 0.75h;

DOI:10.1016/0040-4039(92)88162-X

Reference yield: 55.0%

4-chloro-phenol (106-48-9,82344-39-6) + 3-chloro-2-hydroxypropanoic acid (1713-85-5) → 3-(4-chlorophenoxy)-2-hydroxypropionic acid (7698-98-8)

Guidance literature:

In sodium hydroxide; for 2h; Heating;

DOI:10.1002/ps.1308

Reference yield:

N-tert.-butyl 2-hydroxy 3-p-chlorophenoxy propanamide (74953-53-0) → 3-(4-chlorophenoxy)-2-hydroxypropionic acid (7698-98-8)

Guidance literature:

With hydrogenchloride; acetic acid; In water;

upstream raw materials:

2-(4-Chloro-phenoxymethyl)-2-hydroxy-malonic acid

4-chloro-phenol

3-chloro-2-hydroxypropanoic acid

p-chlorophenoxymethyl chloride

Downstream raw materials:

3-(4-Chloro-phenoxy)-2-hydroxy-propionic acid methyl ester