(3,5-Dimethoxyphenyl)acetic acid
Product Information
Molecular Formula
C10H12O4
Molecular Weight
196.20
Description
(3,5-Dimethoxyphenyl)acetic acid (CAS# 4670-10-4) is a general reactant/reagent used in the synthesis of a recyclable, immobilized analogue of Benzotetramisole.
Synonyms
2-(3,5-dimethoxyphenyl)acetic acid
IUPAC Name
2-(3,5-dimethoxyphenyl)acetic acid
SMILES
COC1=CC(=CC(=C1)CC(=O)O)OC
InChI
InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key
FFPAFDDLAGTGPQ-UHFFFAOYSA-N
Boiling Point
293.08 °C (rough estimate)
Melting Point
102-103 °C (lit.)
Purity
> 98.0 % (T)
Density
1.189 g/cm3
Appearance
White to orange to green powder to crystal
Refractive Index
1.5430 (estimate)
LogP
1.33090
Safety Information
Hazards
H319 H335
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
196.07355886 g/mol
Monoisotopic Mass
196.07355886 g/mol
Topological Polar Surface Area
55.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
181
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113121485-A | 3-aryl coumarin derivative and preparation method and application thereof | 2021-03-01 |
| KR-20220007755-A | Dicing film and dicing die bonding film | 2020-07-09 |
| JP-2021109952-A | Curable Adhesive Composition, Adhesive Tape, Semiconductor Wafer Processing Method, and Semiconductor Device Manufacturing Method | 2020-01-09 |
| JP-6799186-B1 | Curable Adhesive Composition, Adhesive Tape, Semiconductor Wafer Processing Method, and Semiconductor Device Manufacturing Method | 2020-01-09 |
| WO-2021113620-A1 | Acylated active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease | 2019-12-05 |
| WO-2021113635-A1 | Acylated active agents and methods of their use for the treatment of metabolic disorders and nonalcoholic fatty liver disease | 2019-12-05 |
| WO-2021093758-A1 | Pyrimido derivative and application thereof in medicine | 2019-11-15 |
| TW-202128672-A | A kind of pyrimido ring derivative and its application in medicine | 2019-11-15 |
| WO-2021081515-A2 | Compositions and methods for the treatment of human immunodeficiency virus | 2019-10-25 |
| WO-2021050612-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 2019-09-09 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21048342 | 2010-11-01 | Efficient synthesis of natural polyphenolic stilbenes: resveratrol, piceatannol and oxyresveratrol | Chemical & pharmaceutical bulletin |
| 21580779 | 2010-03-30 | Methyl 3,5-dibromo-4-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
