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3,5-Dimethoxybenzoic Acid

Catalog Number
ACM1132214-1
CAS Number
1132-21-4
Product Name
3,5-Dimethoxybenzoic Acid
Category
Dendrimer Building Blocks
IUPAC Name
3,5-dimethoxybenzoic acid
Molecular Weight
182.17
Molecular Formula
C9H10O4
Canonical SMILES
COC1=CC(=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
InChI Key
IWPZKOJSYQZABD-UHFFFAOYSA-N
Melting Point
185.5 °C
Purity
99%
Application
3,5-Dimethoxybenzoic acid (3,5-DmeoxBA) is a versatile compound that appears as an almost white to light beige-pink crystalline powder. It serves multiple roles in chemical synthesis and research applications. This acid is notably used as a reactant in the synthesis of complex organic compounds, such as 5,7-Dimethoxy-3,4-diphenylisocoumarin through coupling with diphenylacetylene, and Biotin dimedone, essential in the study of protein sulfenation. Furthermore, 3,5-DmeoxBA acts as a ligand in the formation of lanthanide complexes, specifically [Ln(3,5-DmeoxBA)3(phen)]2, with phen representing 1,10-phenanthroline. As a methoxybenzoic acid, it features methoxy groups at positions 3 and 5 of the benzoic acid structure, and it functions as a plant metabolite. This substance is the conjugate acid of a 3,5-dimethoxybenzoate, highlighting its potential in both synthetic organic chemistry and biological studies.
Complexity
169
Covalently-Bonded Unit Count
1
EC Number
214-473-8
Exact Mass
182.057909g/mol
Formal Charge
0
Heavy Atom Count
13
Log P
2.19 (LogP)
Monoisotopic Mass
182.057909g/mol
NSC Number
43744;8514
Rotatable Bond Count
3
UNII
38MY78ECKK
Vapor Pressure
1.38e-07 mmHg
XLogP3
2.2
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