2-Methoxy-5-methylphenylacetic acid

Base Information

• Chemical Name: 2-Methoxy-5-methylphenylacetic acid
• CAS No.: 58506-24-4
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 872-770-3
• NSC Number: 30128
• DSSTox Substance ID: DTXSID50974065
• Nikkaji Number: J2.109.767E
• Wikidata: Q82958201
• Mol file: 58506-24-4.mol

Synonyms:58506-24-4;2-Methoxy-5-methylphenylacetic acid;(2-methoxy-5-methylphenyl)acetic acid;2-(2-methoxy-5-methylphenyl)acetic acid;(2-Methoxy-5-methyl-phenyl)-acetic acid;2-methoxy-5-methylbenzeneacetic acid;MFCD06653293;2-Methoxy-5-methylphenylaceticacid;NSC30128;Benzeneacetic acid, 2-methoxy-5-methyl-;SCHEMBL13205866;DTXSID50974065;HMS1746E21;AMY18906;AC8663;BBL020368;NSC-30128;STK891979;AKOS000296245;2-(2-methoxy-5-methyl-phenyl)acetate;SY151994;VS-07099;(2-METHOXY-5-METHYLPHENYL)ACETICACID;BB 0249012;CS-0234021;EN300-13796;A831902;(2-Methoxy-5-methylphenyl)acetic acid, AldrichCPR;Z94601335

Chemical Property of 2-Methoxy-5-methylphenylacetic acid

Chemical Property:

• Vapor Pressure: 0.000303mmHg at 25°C
• Melting Point: 131-133 °C
• Boiling Point: 308°Cat760mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 120.8°C
• PSA: 46.53000
• Density: 1.146g/cm³
• LogP: 1.63070
• 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:

98%min ^*data from raw suppliers

(2-Methoxy-5-methylphenyl)aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)CC(=O)O

Technology Process of 2-Methoxy-5-methylphenylacetic acid

There total 8 articles about 2-Methoxy-5-methylphenylacetic 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: 89.0%

ethanol (64-17-5) + (2-methoxy-5-methylphenyl)-acetonitrile (7048-42-2) → 2-methoxy-5-methylbenzeneacetic acid (58506-24-4) + ethyl 2-methoxy-5-methylbenzeneacetate (58506-25-5)

Guidance literature:

With sulfuric acid; for 18h; Yields of byproduct given; Heating;

DOI:10.1021/jo00231a015

Reference yield: 88.0%

(2-methoxy-5-methylphenyl)acetaldehyde (676608-50-7) → 2-methoxy-5-methylbenzeneacetic acid (58506-24-4)

Guidance literature:

With jones' reagent; In acetone; at 0 - 20 ℃; for 2h;

DOI:10.1002/ejoc.200300589

Reference yield:

1-allyl-2-methoxy-5-methylbenzene (55469-26-6) → 2-methoxy-5-methylbenzeneacetic acid (58506-24-4)

Guidance literature:

With potassium permanganate; acetic acid; at 0 ℃;

DOI:10.1039/jr9370000260

upstream raw materials:

1-allyl-2-methoxy-5-methylbenzene

ethyl 2-methoxy-5-methylbenzeneacetate

ethanol

(2-methoxy-5-methylphenyl)-acetonitrile

Downstream raw materials:

2-(2-(2-methoxy-5-methylphenyl)acetamido)thiophene-3-carboxamide

methyl (2-methoxy-5-methylphenyl)acetate

Refernces

• 1、 Dijkstra, Pieter J.,Skowronska-Ptasinska, Maria,Reinhoudt, David N.,Hertog, Herman J. den,Eerden, Johan van,et al.. "Preorganized Macrocyclic Ligands: A Novel Approach to Functionalized Hemispherands via Aromatization". . p. 4913 - 4921. Retrieved 2007/10/02.