2,4-Dimethoxy-6-methylbenzoic acid

Base Information

• Chemical Name: 2,4-Dimethoxy-6-methylbenzoic acid
• CAS No.: 3686-57-5
• Molecular Formula: C10H12 O4
• Molecular Weight: 196.203
• Hs Code.: 2918990090
• European Community (EC) Number: 625-228-3
• DSSTox Substance ID: DTXSID10345818
• Nikkaji Number: J117.529G
• Wikidata: Q82118559
• Mol file: 3686-57-5.mol

Synonyms:2,4-Dimethoxy-6-methylbenzoic acid;3686-57-5;2,4-Dimethoxy-6-methylbenzoicacid;O,O-Dimethylorsellinic acid;o-Toluic acid, 4,6-dimethoxy-;MFCD00229046;Benzoic acid, 2,4-dimethoxy-6-methyl-;Orsellinic acid dimethylether;SCHEMBL311761;DTXSID10345818;2,4-Dimethoxy-6-methyl-benzoic acid;2-methyl-4,6-dimethoxy benzoic acid;AKOS000349075;2,4-Dimethoxy-6-methylbenzoic acid, 97%;CS-0364940;FT-0720266;O,O-Dimethylorsellinic acid, Orsellinic acid dimethyl ether

Chemical Property of 2,4-Dimethoxy-6-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 5.86E-05mmHg at 25°C
• Melting Point: 141-145 °C
• Refractive Index: 1.53
• Boiling Point: 332.3°Cat760mmHg
• PKA: 4.16±0.37(Predicted)
• Flash Point: 130.6°C
• PSA: 55.76000
• Density: 1.18g/cm³
• LogP: 1.71040
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 196.07355886
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

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

2,4-Dimethoxy-6-methylbenzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C(=O)O)OC)OC

Technology Process of 2,4-Dimethoxy-6-methylbenzoic acid

There total 29 articles about 2,4-Dimethoxy-6-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: 99.0%

methyl 2,4-dimethoxy-6-methylbenzoate (6110-37-8) → 2,4-dimethoxy-6-methylbenzoic acid (3686-57-5)

Guidance literature:

With potassium hydroxide; In ethanol;

DOI:10.1055/s-2004-835634

Reference yield: 95.0%

C14H20O4 (1276019-92-1) → 2,4-dimethoxy-6-methylbenzoic acid (3686-57-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 12h; Reflux;

DOI:10.1002/cjoc.201300016

Reference yield: 93.0%

orsellinic acid (480-64-8) + methyl iodide (74-88-4) → 2,4-dimethoxy-6-methylbenzoic acid (3686-57-5)

Guidance literature:

orsellinic acid; methyl iodide; With potassium carbonate; In acetone; Reflux;

With potassium hydroxide; In ethanol; Reflux;

DOI:10.1002/anie.201509345

upstream raw materials:

diazomethane

2-hydroxy-4-methoxy-6-methyl-benzoic acid methyl ester

2,4-dimethoxy-6-methyl-benzaldehyde

N,N-Dimethyl-2,4-dimethoxy-6-methylbenzylamine

Downstream raw materials:

5,8-dihydro-4-(2',4'-dimethoxy-6'-methylbenzoyloxy)-1-naphthol

4-(2',4'-dimethoxy-6'-methylbenzoyloxy)methoxybenzene

2,4-dimethoxy-6-(methoxycarbonylmethyl)benzoic acid

5-(2',4'-dimethoxy-6'-methylbenzoyloxy)-8-hydroxy-1,4-naphthoquinone

Refernces

• 1、 Cochrane, Rachel V. K.,Sanichar, Randy,Lambkin, Gareth R.,Reiz, Bla,Xu, Wei,Tang, Yi,Vederas, John C.. "Production of New Cladosporin Analogues by Reconstitution of the Polyketide Synthases Responsible for the Biosynthesis of this Antimalarial Agent". . p. 664 - 668. Retrieved 2016.
• 2、 -. "MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90". Page/Page column 92; 166. . Retrieved 2010/11/30.