Methyl 3,5-dihydroxy-4-methylbenzoate

Base Information

• Chemical Name: Methyl 3,5-dihydroxy-4-methylbenzoate
• CAS No.: 75238-29-8
• Molecular Formula: C9H10 O4
• Molecular Weight: 182.176
• European Community (EC) Number: 834-734-5
• DSSTox Substance ID: DTXSID80466468
• Nikkaji Number: J1.919.973H
• Wikidata: Q82293037
• Mol file: 75238-29-8.mol

Synonyms:75238-29-8;METHYL 3,5-DIHYDROXY-4-METHYLBENZOATE;METHYL3,5-DIHYDROXY-4-METHYLBENZOATE;3,5-DIHYDROXY-4-METHYLBENZOIC ACID METHYL ESTER;Benzoic acid, 3,5-dihydroxy-4-methyl-, methyl ester;Methyl-3,5-dihydroxy-4-methylbenzoate;SCHEMBL1919075;DTXSID80466468;YVVWRFQRKJIERW-UHFFFAOYSA-N;2-FURALDEHYDEDIMETHYLHYDRAZONE;AKOS006274623;MS-9829;Methyl 3, 5-dihydroxy-4-methylbenzoate;FT-0628511;EN300-118219;3,5-Dihydroxy-4-methyl-benzoic acid methyl ester;3,5-Dihydroxy-4-methylbenzoic acid methyl ester, 95%;Z1198149725

Chemical Property of Methyl 3,5-dihydroxy-4-methylbenzoate

Chemical Property:

• PSA: 66.76000
• LogP: 1.19280
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 182.05790880
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

99% ^*data from raw suppliers

Methyl3,5-Dihydroxy-4-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1O)C(=O)OC)O

Technology Process of Methyl 3,5-dihydroxy-4-methylbenzoate

There total 7 articles about Methyl 3,5-dihydroxy-4-methylbenzoate 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: 96.8%

3,5-dihydroxy-4-methylbenzoic acid (28026-96-2) + methyl iodide (74-88-4) → 3,5-dihydroxy-4-methylbenzoic acid methyl ester (75238-29-8)

Guidance literature:

With sulfuric acid; potassium carbonate; In methanol; at 60 ℃;

Reference yield: 94.0%

methyl 3,5-bis(benzyloxy)-4-methylbenzoate (34696-31-6) → 3,5-dihydroxy-4-methylbenzoic acid methyl ester (75238-29-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.3987/COM-18-S(F)100

Reference yield: 89.0%

methanol (67-56-1) + 3,5-dihydroxy-4-methylbenzoic acid (28026-96-2) → 3,5-dihydroxy-4-methylbenzoic acid methyl ester (75238-29-8)

Guidance literature:

With sulfuric acid; for 18h; Heating;

DOI:10.1016/S0040-4020(01)93696-8

upstream raw materials:

diazomethane

3,5-dihydroxy-4-methylbenzoic acid

methanol

3,5-disulphonic-4-methyl-benzoic acid

Downstream raw materials:

methyl 3,5-dimethoxy-4-methylbenzoate

5-Hydroxy-3-methoxy-4-methylbenzoesaeure-methylester

3-hydroxy-5-methoxy-4-methyl-benzoic acid

methyl 2-formyl-3,5-dihydroxy-4-methylbenzoate

Refernces

• 1、 -. "Btk INHIBITORS WITH IMPROVED DUAL SELECTIVITY". Paragraph 0134-0136. . Retrieved 2019/03/05.
• 2、 Fukuhara, Kiyoshi,Nakanishi, Ikuo,Matsuoka, Atsuko,Matsumura, Tomohiro,Honda, Sachiko,Hayashi, Mikiko,Ozawa, Toshihiko,Miyata, Naoki,Saito, Shinichi,Ikota, Nobuo,Okuda, Haruhiro. "Effect of methyl substitution on the antioxidative property and genotoxicity of resveratrol". . p. 282 - 287. Retrieved 2008/12/22.