2-Methoxy-3-methylbenzoic acid

Base Information

• Chemical Name: 2-Methoxy-3-methylbenzoic acid
• CAS No.: 26507-91-5
• Molecular Formula: C9H10O3
• Molecular Weight: 166.177
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00359222
• Nikkaji Number: J1.046.216I
• Wikidata: Q82140324
• Mol file: 26507-91-5.mol

Synonyms:2-METHOXY-3-METHYLBENZOIC ACID;26507-91-5;2-methoxy-3-methyl-benzoic Acid;2-Methoxy-3-MethylbenzoicAcid;Benzoic acid, 2-methoxy-3-methyl-;3-Methyl-o-anisic acid;SCHEMBL305252;DTXSID00359222;KISMEIDIHLMTCQ-UHFFFAOYSA-N;AMY28724;3-methyl-2-(methyloxy)benzoic acid;BBL002640;MFCD00016522;STK002966;AKOS000109333;VS-01138;2-methoxy-3-methylbenzoic acid, AldrichCPR;A5248;BB 0244991;CS-0131363;FT-0693074;D84012

Chemical Property of 2-Methoxy-3-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 0.0012mmHg at 25°C
• Melting Point: 83 °C
• Refractive Index: 1.54
• Boiling Point: 286.8 °C at 760 mmHg
• PKA: 4.16±0.10(Predicted)
• Flash Point: 114.9 °C
• PSA: 46.53000
• Density: 1.168 g/cm³
• LogP: 1.70180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.062994177
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-methoxy-3-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methoxy-3-methylbenzoic acid

There total 21 articles about 2-Methoxy-3-methylbenzoic 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%

methyl 2-methoxy-3-methylbenzoate (52239-62-0) → 2-methoxy-3-methylbenzoic acid (26507-91-5)

Guidance literature:

With catalase from bovine liver; In aq. phosphate buffer; at 20 ℃; for 120h; pH=7.5; Enzymatic reaction;

DOI:10.1039/c3gc40838h

Reference yield: 91.0%

C11H14O4 (1178514-37-8) → 2-methoxy-3-methylbenzoic acid (26507-91-5)

Guidance literature:

With niobium pentachloride; In acetonitrile; at 0 - 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2009.03.171

Reference yield: 90.0%

2-methoxy-3-methylbenzhydrazide (288154-71-2) → 2-methoxy-3-methylbenzoic acid (26507-91-5)

Guidance literature:

With sodium hydroxide; In methanol; water; Reflux;

DOI:10.1080/10610278.2020.1713324

upstream raw materials:

n-heptane

2-methylmethoxybenzene

n-pentylsodium

methyl 2-methoxy-3-methylbenzoate

Downstream raw materials:

2-methoxyisophthalic acid

2-methoxy-3-methylbenzoyl chloride

2-methoxy-3-methyl-benzoic acid anilide

N-(1,1-diethyl)-6-formyl-3-methyl-2-methoxybenzamide

Refernces

• 1、 Ambrosi, Gianluca,Formica, Mauro,Fusi, Vieri,Giorgi, Luca,Micheloni, Mauro,Paderni, Daniele. "Fluorescent macrocyclic chemosensor for Zn(II) detection at alkaline pH values". . . Retrieved 2020/01/25.
• 2、 Thiede, Sebastian,Winterscheid, Peter Maria,Hartmann, Jan,Schnakenburg, Gregor,Essig, Sebastian,Menche, Dirk. "Regiodivergent Iodocyclizations for the Highly Diastereoselective Synthesis of syn - And anti -Hydroxyl-Isochromanones and -Isobenzofuranones: Concise Synthesis of the Isochromanone Core of the Ajudazols". . p. 697 - 709. Retrieved 2016/03/01.