Methyl 3,4-dihydroxybenzoate

Base Information

Chemical Name:Methyl 3,4-dihydroxybenzoate
CAS No.:2150-43-8
Molecular Formula:C8H8O4
Molecular Weight:168.149
Hs Code.:29182900
European Community (EC) Number:677-539-9
NSC Number:146458
UNII:G72J90268X
DSSTox Substance ID:DTXSID20301804
Nikkaji Number:J45.023E
Wikidata:Q10354668
Pharos Ligand ID:N1BZDN1YCYKP
Metabolomics Workbench ID:74818
ChEMBL ID:CHEMBL486027
Mol file:2150-43-8.mol

Synonyms:MDHB compound;methyl 3,4-dihydroxybenzoate

Suppliers and Price of Methyl 3,4-dihydroxybenzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
3,4-Dihydroxybenzoic Acid Methyl Ester
25g
$ 460.00

TRC
3,4-DihydroxybenzoicAcidMethylEster
5g
$ 85.00

TCI Chemical
Methyl 3,4-Dihydroxybenzoate >98.0%(GC)(T)
5g
$ 27.00

TCI Chemical
Methyl 3,4-Dihydroxybenzoate >98.0%(GC)(T)
25g
$ 54.00

SynQuest Laboratories
Methyl 3,4-dihydroxybenzoate
25 g
$ 136.00

SynQuest Laboratories
Methyl 3,4-dihydroxybenzoate
100 g
$ 312.00

Medical Isotopes, Inc.
3,4-DihydroxybenzoicAcidMethylEster
250 g
$ 2200.00

Matrix Scientific
Methyl 3,4-dihydroxybenzoate 95+%
25g
$ 153.00

Matrix Scientific
Methyl 3,4-dihydroxybenzoate 95+%
100g
$ 175.00

Matrix Scientific
Methyl 3,4-dihydroxybenzoate 95+%
5g
$ 82.00

Total 82 raw suppliers

Chemical Property of Methyl 3,4-dihydroxybenzoate

Chemical Property:

Appearance/Colour:white to off-white crystalline powder
Vapor Pressure:2.02E-05mmHg at 25°C
Melting Point:134-135°C
Refractive Index:1.587
Boiling Point:351.5 °C at 760 mmHg
PKA:8.19±0.18(Predicted)
Flash Point:148.5 °C
PSA：66.76000
Density:1.354 g/cm³
LogP:0.88440
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Heavy Atom Count:12
Complexity:168

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dihydroxybenzoic Acid Methyl Ester ^*data from reagent suppliers

Safty Information:

Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.;
Hazard Codes:R36/37/38:Irritating to eyes, respiratory system and skin.;
Statements: 36/37/38
Safety Statements: 26-36-37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=CC(=C(C=C1)O)O
Uses The methyl ester of 3,4-Dihydroxybenzoic Acid (D451680) with antioxidant properties.

Technology Process of Methyl 3,4-dihydroxybenzoate

There total 35 articles about Methyl 3,4-dihydroxybenzoate 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: 100.0%

: 67-56-1
methanol

: 99-50-3
3,4-Dihydroxybenzoic acid

: 2150-43-8
3,4-dihydroxybenzoic acid methyl ester

Guidance literature:: With thionyl chloride; Heating;
DOI:10.1080/00304940409356628

Reference yield: 98.0%

: 6702-50-7
3-hydroxy-4-methoxybenzoate

: 2150-43-8
3,4-dihydroxybenzoic acid methyl ester

Guidance literature:: With aluminium(III) iodide; N,N-dimethyl-formamide dimethyl acetal; In acetonitrile; at 80 ℃; for 18h; Reagent/catalyst;
DOI:10.1021/acs.joc.0c00290