Methyl 2-(3-hydroxyphenyl)acetate

Base Information

• Chemical Name: Methyl 2-(3-hydroxyphenyl)acetate
• CAS No.: 42058-59-3
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918290000
• European Community (EC) Number: 806-118-6
• DSSTox Substance ID: DTXSID20194899
• Nikkaji Number: J530.807K
• Wikidata: Q83067761
• Mol file: 42058-59-3.mol

Synonyms:methyl 2-(3-hydroxyphenyl)acetate;42058-59-3;3-Hydroxyphenylacetic Acid Methyl Ester;METHYL 3-HYDROXYPHENYLACETATE;Methyl 3-hydroxyphenyl acetate;Methyl (3-hydroxyphenyl)acetate;Benzeneacetic acid, 3-hydroxy-, methyl ester;MFCD00017660;Methyl m-hydroxyphenylacetate;3-hydroxybenzeneacetic acid methyl ester;Methyl2-(3-Hydroxyphenyl)acetate;(3-Hydroxyphenyl)acetic acid methyl ester;methyl-3-hydroxyphenylacetate;SCHEMBL979023;methyl 3 -hydroxyphenylacetate;methyl(3-hydroxyphenyl)acetate;AMY815;DTXSID20194899;Methyl (3-hydroxyphenyl)acetate #;AB3965;AKOS010659217;3-hydroxyphenyl acetic acid methyl ester;AS-12071;SY023952;methyl 3-hydroxyphenyl acetate, AldrichCPR;(3-hydroxy-phenyl)-acetic acid methyl ester;CS-0019183;FT-0687122;M2925;EN300-73386;A825734;Z816010254

Chemical Property of Methyl 2-(3-hydroxyphenyl)acetate

Chemical Property:

• Vapor Pressure: 0.00264mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 277.7 °C at 760 mmHg
• PKA: 9.61±0.10(Predicted)
• Flash Point: 119.2 °C
• PSA: 46.53000
• Density: 1.181 g/cm³
• LogP: 1.10770
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Methyl 3-Hydroxyphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CC1=CC(=CC=C1)O
• Uses: Methyl 3-Hydroxyphenylacetate is a phenylacetic acid derivative and a CRTH2 and DP dual antagonist.

Technology Process of Methyl 2-(3-hydroxyphenyl)acetate

There total 15 articles about Methyl 2-(3-hydroxyphenyl)acetate 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: 100.0%

methanol (67-56-1) + m-hydroxyphenylacetic acid (621-37-4) → 3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3)

Guidance literature:

With sulfuric acid; for 8h; Heating;

DOI:10.1016/j.bmcl.2006.08.052

Reference yield: 100.0%

m-hydroxyphenylacetic acid (621-37-4) → 3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3)

Guidance literature:

With sulfuric acid; In methanol; for 18h; Heating / reflux;

Reference yield: 100.0%

conc. H2 SO4 + m-hydroxyphenylacetic acid (621-37-4) → 3-hydroxy-benzeneacetic acid, methyl ester (42058-59-3)

Guidance literature:

With sodium hydrogencarbonate; In methanol;

upstream raw materials:

methyl 3-<2-(methoxycarbonyl)benzyloxy>phenylacetate

3-methyl-1-p-tolyltriazene

m-hydroxyphenylacetic acid

benzeneacetic acid methyl ester

Downstream raw materials:

[3-(Thiophen-3-yloxy)-phenyl]-acetic acid methyl ester

methyl 3-(2-quinolinylmethoxy)benzeneacetate

[3-(Benzothiazol-2-ylmethoxy)-phenyl]-acetic acid methyl ester

[3-(1-Methyl-1H-benzoimidazol-2-ylmethoxy)-phenyl]-acetic acid methyl ester

Refernces

• 1、 -. "Imatinib intermediate and preparation method thereof (by machine translation)". Paragraph 0154-0156. . Retrieved 2020/07/03.
• 2、 Song, Lijun,Merceron, Romain,Gracia, Bego?a,Quintana, Ainhoa Lucía,Risseeuw, Martijn D. P.,Hulpia, Fabian,Cos, Paul,Aínsa, José A.,Munier-Lehmann, Hélène,Savvides, Savvas N.,Van Calenbergh, Serge. "Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors". . p. 2753 - 2775. Retrieved 2018/04/23.