Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester

Base Information

Chemical Name:Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester
CAS No.:98201-66-2
Molecular Formula:C9H10O4
Molecular Weight:182.17300
Hs Code.:
DSSTox Substance ID:DTXSID10443969
Wikidata:Q82261970

Synonyms:98201-66-2;Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester;SCHEMBL10522239;DTXSID10443969

Suppliers and Price of Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester

Chemical Property:

PSA：66.76000
LogP:1.19280
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:182.05790880
Heavy Atom Count:13
Complexity:192

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester

There total 2 articles about Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester 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: 93.0%

: 190653-26-0
5-Methyl-benzo[1,3]dioxole-4-carboxylic acid methyl ester

: 98201-66-2
methyl 2,3-dihydroxy-6-methyl benzoate

Guidance literature:: With aluminum tri-bromide; In ethanethiol; at 0 ℃; for 1h;
DOI:10.1039/a605837j

Reference yield:

: 58343-49-0
Methyl 6-formyl-2,3-(methylenedioxy)benzoate

: 98201-66-2
methyl 2,3-dihydroxy-6-methyl benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / H₂ / 10percent Pd-C / acetic acid; methanol / 9 h / 2585.7 Torr

2: 93 percent / AlBr₃ / C₂H₅SH / 1 h / 0 °C

With aluminum tri-bromide; hydrogen; palladium on activated charcoal; In methanol; acetic acid; ethanethiol;
DOI:10.1039/a605837j

Reference yield:

: 98201-66-2
methyl 2,3-dihydroxy-6-methyl benzoate

: 190653-29-3
4-Allyl-3-hydroxy-2-methoxy-6-methyl-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 50 percent / Li₂CO₃ / dimethylformamide / 96 h

2: 92 percent / K₂CO₃ / acetone / 7 h / Heating

3: 86 percent / decahydronaphthalene / 8 h / 190 °C

With lithium carbonate; potassium carbonate; In N,N-dimethyl-formamide; acetone; decalin;
DOI:10.1039/a605837j