Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl ester

Base Information

Chemical Name:Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl ester
CAS No.:50888-95-4
Molecular Formula:C11H14O5
Molecular Weight:226.229
Hs Code.:
DSSTox Substance ID:DTXSID30434915
Nikkaji Number:J559.415D
Wikidata:Q82249508
Mol file:50888-95-4.mol

Synonyms:50888-95-4;t-butyl gallate;Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl ester;Gallic acid tert-butyl ester;SCHEMBL39049;DTXSID30434915

Suppliers and Price of Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl 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, 3,4,5-trihydroxy-, 1,1-dimethylethyl ester

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:226.08412354
Heavy Atom Count:16
Complexity:246

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl ester

There total 2 articles about Benzoic acid, 3,4,5-trihydroxy-, 1,1-dimethylethyl 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: 74.0%

: 149-91-7
3,4,5-trihydroxybenzoic acid

: 75-65-0
tert-butyl alcohol

: 50888-95-4
tert-butyl gallate

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; at 20 ℃; for 48h; Inert atmosphere;
DOI:10.1039/c7tb00279c

Reference yield: 38.0%

: 540-88-5
acetic acid tert-butyl ester

: 149-91-7
3,4,5-trihydroxybenzoic acid

: 75-65-0
tert-butyl alcohol

: 50888-95-4
tert-butyl gallate

Guidance literature:: With sulfuric acid; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1248/cpb.c13-00458

Reference yield: 85.0%

: 50888-95-4
tert-butyl gallate

: 100-39-0
benzyl bromide

: tert-butyl 4-benzyloxy-3,5-dihydroxybenzoate

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 5h; chemoselective reaction;
DOI:10.3987/COM-18-S(T)79