Methyl 3-hydroxy-2,6-dimethylbenzoate

Base Information

• Chemical Name: Methyl 3-hydroxy-2,6-dimethylbenzoate
• CAS No.: 131236-69-6
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• DSSTox Substance ID: DTXSID40564333
• Nikkaji Number: J374.791C
• Wikidata: Q82449016

Synonyms:131236-69-6;Methyl 3-hydroxy-2,6-dimethylbenzoate;Benzoic acid, 3-hydroxy-2,6-dimethyl-, methyl ester;SCHEMBL1584561;DTXSID40564333

Chemical Property of Methyl 3-hydroxy-2,6-dimethylbenzoate

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-hydroxy-2,6-dimethylbenzoate

There total 7 articles about Methyl 3-hydroxy-2,6-dimethylbenzoate 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: 10.0%

2,5-dimethylfuran (625-86-5) + propynoic acid methyl ester (922-67-8) → methyl 2,4-dimethyl-5-hydroxybenzene-1-carboxylate (50790-71-1) + methyl 2-hydroxy-3,5-dimethylbenzoate (117369-92-3) + methyl 2,6-dimethyl-3-hydroxybenzene-1-carboxylate (131236-69-6)

Guidance literature:

propynoic acid methyl ester; With scandium tris(trifluoromethanesulfonate); In acetonitrile; at 20 ℃; for 0.166667h;

2,5-dimethylfuran; In acetonitrile; at 100 ℃; for 60h; Sealed tube;

Reference yield:

3-amino-2,6-dimethyl-benzoic acid methyl ester (269072-16-4) → methyl 2,6-dimethyl-3-hydroxybenzene-1-carboxylate (131236-69-6)

Guidance literature:

With sulfuric acid; water; sodium nitrite; at 0 - 120 ℃;

Reference yield:

C18H14Cl2O6 → methyl 2,6-dimethyl-3-hydroxybenzene-1-carboxylate (131236-69-6)

Guidance literature:

With water; sodium hydrogencarbonate; In methanol; at 50 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.joc.5b01079

upstream raw materials:

methyl 1,3-dimethyl-4-oxo-2,5-cyclohexadiene-1-carboxylate

2,6-dimethylbenzoic acid

3-amino-2,6-dimethyl-benzoic acid methyl ester

2,6-dimethyl-3-nitrobenzoic acid

Downstream raw materials:

methyl 2,6-dimethyl-3-[2-(1-pyrrolidinyl)ethoxy]benzoate

methyl 3-methoxy-2,6-dimethylbenzoate

2-(3-(3-hydroxy-2,6-dimethylbenzyloxy)-4-methylphenyl)acetic acid

3-((3-(1H-tetrazol-5-yl)phenoxy)methyl)-2,4-dimethylphenol

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