3-Methoxyphenylacetic acid

Base Information

• Chemical Name: 3-Methoxyphenylacetic acid
• CAS No.: 1798-09-0
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 29189090
• European Community (EC) Number: 217-282-8
• UNII: 25XLO0T6MY
• DSSTox Substance ID: DTXSID70170865
• Nikkaji Number: J54.948G
• Wikidata: Q10395569
• Metabolomics Workbench ID: 131976
• ChEMBL ID: CHEMBL345053
• Mol file: 1798-09-0.mol

Synonyms:3-methoxyphenylacetic acid;3-methoxyphenylacetic acid, potassium salt;p-methoxyphenylacetic acid

Chemical Property of 3-Methoxyphenylacetic acid

Chemical Property:

• Appearance/Colour: White solid.
• Vapor Pressure: 0.000357mmHg at 25°C
• Melting Point: 65-69 °C(lit.)
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 305.5 °C at 760 mmHg
• PKA: 4.19±0.10(Predicted)
• Flash Point: 124.1 °C
• PSA: 46.53000
• Density: 1.179 g/cm³
• LogP: 1.32230
• Storage Temp.: Store below +30°C.
• Solubility.: Soluble in Chloroform and Ethyl Acetate.
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.5
• 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

3-Methoxyphenylacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: COC1=CC=CC(=C1)CC(=O)O
• Uses: A fluorimetric method for the estimation of 4-hydroxy-3-methoxyphenylacetic acid (homovanillic acid) has been developed and applied to normal brain tissue. The presence of homovanillic acid in the caudate nucleus of normal animals of several species has been demonstrated.

Technology Process of 3-Methoxyphenylacetic acid

There total 38 articles about 3-Methoxyphenylacetic 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: 100.0%

5-methoxybicyclo[4.2.0]octa-1,3,5-trien-7-one (66947-60-2) → m-methoxyphenylacetic acid (1798-09-0)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 2h;

DOI:10.1021/jo00133a031

Reference yield: 96.0%

2-(3-methoxyphenyl)-ethanol (5020-41-7) → m-methoxyphenylacetic acid (1798-09-0)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; sodium hypochlorite; sodium chlorite; In acetonitrile; at 35 ℃; pH 6.7;

DOI:10.1021/jo982143y

Reference yield: 96.0%

methyl (3-methoxyphenyl)acetate (18927-05-4) → m-methoxyphenylacetic acid (1798-09-0)

Guidance literature:

With sodium hydroxide; for 2h; Heating;

DOI:10.1055/s-1981-29358

upstream raw materials:

2-<3-methoxyphenyl>-1-tetrahydro-2H-1,4-oxazin-4-yl-1-ethanethione

4-(3-methoxybenzylidene)-2-phenyloxazol-5(4H)-one

potassium cyanide

m-methoxybenzyl chloride

Downstream raw materials:

2-(3-methoxy-phenyl)-5-phenyl-pent-2-en-4-ynoic acid

6-acetoxy-3-(3-methoxy-phenyl)-coumarin

ETHYL 3-METHOXYPHENYLACETATE

2-(3-methoxyphenyl)-ethanol

Refernces

• 1、 Kornfeld. "-". . p. 1373,1375, 1376. Retrieved 1948.
• 2、 Bo, Zhi-Yu,Chen, Lin,Gao, Tian-Yu,Jing, Ke,Lan, Yu,Liu, Shi-Han,Luo, Shu-Ping,Yan, Si-Shun,Yu, Bo,Yu, Da-Gang. "Visible-light photoredox-catalyzed selective carboxylation of C(sp3)?F bonds with CO2". supporting information. p. 3099 - 3113. Retrieved 2021/11/16.
• 3、 Ishida, Naoki,Masuda, Yusuke,Imamura, Yuuya,Yamazaki, Katsushi,Murakami, Masahiro. "Carboxylation of benzylic and aliphatic C-H bonds with CO2 induced by light/ketone/nickel". supporting information. p. 19611 - 19615. Retrieved 2019/12/24.