Methyl 2-(4-hydroxyphenyl)-2-oxoacetate

Base Information

• Chemical Name: Methyl 2-(4-hydroxyphenyl)-2-oxoacetate
• CAS No.: 38250-16-7
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• Hs Code.: 2918990090
• European Community (EC) Number: 609-538-6
• DSSTox Substance ID: DTXSID9068083
• Nikkaji Number: J422.388H
• Wikidata: Q81994789
• Mol file: 38250-16-7.mol

Synonyms:methyl 2-(4-hydroxyphenyl)-2-oxoacetate;38250-16-7;Methyl 4-hydroxybenzoylcarboxylate;Benzeneacetic acid, 4-hydroxy-.alpha.-oxo-, methyl ester;4-Hydroxyphenyloxoacetic acid methyl ester;Benzeneacetic acid, 4-hydroxy-alpha-oxo-, methyl ester;4-hydroxy-alpha-oxobenzeneacetic acid methyl ester;methyl p-hydroxyphenylglyoxylate;SCHEMBL2601260;DTXSID9068083;ACOFACMTVIGUGM-UHFFFAOYSA-N;MFCD24713493;AKOS022640432;methyl2-(4-hydroxyphenyl)-2-oxoacetate;4-hydroxyphenylglyoxylic acid methyl ester;AS-63916;methyl 2-(4-hydroxy-phenyl)-2-oxoacetate;CS-0061796;alpha-oxo-4-hydroxybenzeneacetic acid methyl ester;4-hydroxy-alpha-oxobenzene acetic acid methyl ester

Chemical Property of Methyl 2-(4-hydroxyphenyl)-2-oxoacetate

Chemical Property:

• Vapor Pressure: 9.28E-05mmHg at 25°C
• Boiling Point: 329.4°C at 760 mmHg
• Flash Point: 134.9°C
• PSA: 63.60000
• Density: 1.292g/cm³
• LogP: 0.74790
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

98% ^*data from raw suppliers

Methyl2-(4-hydroxyphenyl)-2-oxoacetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=O)C1=CC=C(C=C1)O

Technology Process of Methyl 2-(4-hydroxyphenyl)-2-oxoacetate

There total 8 articles about Methyl 2-(4-hydroxyphenyl)-2-oxoacetate 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: 97.0%

methanol (67-56-1) + pisolithin A (15573-67-8) → 4-hydroxy-alpha-oxobenzeneacetic acid methyl ester (38250-16-7)

Guidance literature:

With hydrogenchloride; for 18h; Heating;

DOI:10.1016/j.tetlet.2006.11.139

Reference yield: 88.0%

p-hydroxybenzoylformic acid sodium salt (54537-30-3) + dimethyl sulfate (77-78-1) → 4-hydroxy-alpha-oxobenzeneacetic acid methyl ester (38250-16-7)

Guidance literature:

In dimethyl sulfoxide; for 18h;

DOI:10.1021/ja00158a040

Reference yield: 49.0%

D-2-p-hydroxyphenylglycine methyl ester (37763-23-8) → 4-hydroxy-alpha-oxobenzeneacetic acid methyl ester (38250-16-7)

Guidance literature:

With pyridine; copper(ll) sulfate pentahydrate; acetic acid; Glyoxilic acid; In 1,4-dioxane; water; at 25 ℃; for 18h;

DOI:10.1021/acs.jmedchem.1c00034

upstream raw materials:

methanol

pisolithin A

p-hydroxybenzoylformic acid sodium salt

dimethyl sulfate

Downstream raw materials:

methyl 2-oxo-2-(4-phenylmethoxyphenyl)acetate

Refernces

• 1、 Tsantrizos, Youla S.,Kope, Harry H.,Fortin, J. Andre,Ogilvie, Kelvin K.. "ANTIFUNGAL ANTIBIOTICS FROM PISOLITHUS TINCTORIUS". . p. 1113 - 1118. Retrieved 1991.
• 2、 -. "A COMPOUND FOR THE DETERMINATION OF THE PROTEIN FKBP12 AND A SENSOR UNIT COMPRISING IT". Page/Page column 19; 21. . Retrieved 2021/06/26.
• 3、 Jones, Ian L.,Schofield, Daniel J.,Strevens, Robert R.,Horton, Peter N.,Hursthouse, Michael B.,Tomkinson, Nicholas C.O.. "Novel steroid mimics: synthesis of tri- and tetra-substituted oxamides and oxoamides". . p. 521 - 525. Retrieved 2007/10/03.