2-(3-Methoxy-4-methylphenyl)acetic acid

Base Information

• Chemical Name: 2-(3-Methoxy-4-methylphenyl)acetic acid
• CAS No.: 100861-38-9
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• European Community (EC) Number: 830-285-4
• DSSTox Substance ID: DTXSID00429333
• Wikidata: Q82242336
• Mol file: 100861-38-9.mol

Synonyms:100861-38-9;2-(3-methoxy-4-methylphenyl)acetic acid;(3-methoxy-4-methylphenyl)acetic acid;3-Methoxy-4-methylphenylacetic acid;2-(3-Methoxy-4-methylphenyl)aceticacid;SCHEMBL1010618;DTXSID00429333;XCHVZBMNFXWCTR-UHFFFAOYSA-N;CL9702;MFCD06208114;AKOS008073080;(3-methoxy-4-methyl-phenyl)-acetic acid;3-METHOXY-4-METHYLPHENYLACETICACID;BS-13778;CS-0440582;EN300-24066;Z168876634

Chemical Property of 2-(3-Methoxy-4-methylphenyl)acetic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 82 °C
• Refractive Index: 1.534
• Boiling Point: 313.6°Cat760mmHg
• PKA: 4.28±0.10(Predicted)
• Flash Point: 123.5°C
• Density: 1.146g/cm³
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

99%min ^*data from raw suppliers

3-Methoxy-4-methylphenylaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CC(=O)O)OC
• Uses: 3-Methoxy-4-methylphenylacetic Acid is synthetically prepared by benzylic metalation of substituted toluenes using a mixed metal (Li/K) amide base to facilitate an anion migration from the kinetic to the benzylic metalation site.

Technology Process of 2-(3-Methoxy-4-methylphenyl)acetic acid

There total 5 articles about 2-(3-Methoxy-4-methylphenyl)acetic 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: 73.0%

2-(3-methoxy-4-methylphenyl)acetonitrile (64829-31-8) → (3-methoxy-4-methylphenyl)acetic acid (100861-38-9)

Guidance literature:

With water; sodium hydroxide; In methanol; at 80 ℃; for 18h;

Reference yield: 60.0%

carbon dioxide (124-38-9,18923-20-1) + 2,5-Dimethyl-anisol (1706-11-2) → (3-methoxy-4-methylphenyl)acetic acid (100861-38-9)

Guidance literature:

2,5-Dimethyl-anisol; With 2,2,6,6-tetramethyl-piperidine; n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -78 ℃; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja110234v

Reference yield:

4-[(3-methoxy-4-methyl-phenyl)-thioacetyl]-morpholine (92501-14-9) → (3-methoxy-4-methylphenyl)acetic acid (100861-38-9)

Guidance literature:

With sulfuric acid; acetic acid;

DOI:10.1021/jm00335a038

upstream raw materials:

4-[(3-methoxy-4-methyl-phenyl)-thioacetyl]-morpholine

2-(3-methoxy-4-methylphenyl)acetonitrile

1-(3-methoxy-4-methylphenyl)ethan-1-one

carbon dioxide

Downstream raw materials:

3-Methoxy-4-methyl-phenylacetamid

4-[3,3-Diethyl-1-(3-methoxy-4-methyl-benzylcarbamoyl)-4-oxo-azetidin-2-yloxy]-benzoic acid

1′-(3-methoxy-4-methylphenyl)ethyl-2′-amine

N-<3-Methoxy-4-methyl-phenaethyl>-<3.4-dimethyl-phenylacetamid>

Refernces

• 1、 -. "3-SUBSTITUTED COMPOUNDS FOR REDUCING URIC ACID". Page/Page column 84. . Retrieved 2011/05/05.
• 2、 -. "COMPOUNDS AND METHOD FOR REDUCING URIC ACID". Page/Page column 92-93. . Retrieved 2010/01/07.