Methyl p-anisate - CAS 121-98-2
Catalog: |
BB005315 |
Product Name: |
Methyl p-anisate |
CAS: |
121-98-2 |
Synonyms: |
methyl 4-methoxybenzoate |
IUPAC Name: | methyl 4-methoxybenzoate |
Description: | Methyl p-anisate (CAS# 121-98-2) is also used in the synthesis of oxadiazole-based, GSK-3 inhibitors. Methyl 4-Methoxybenzoate is used in the synthesis of substituted hydrazides for their antitubercular properties. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)OC |
InChI: | InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3 |
InChI Key: | DDIZAANNODHTRB-UHFFFAOYSA-N |
Boiling Point: | 256.00 °C (EPI 4.0) |
Melting Point: | 48-51°C |
Flash Point: | 98.1°C |
Purity: | 99.0 % (sum of isomers) |
Density: | 1.098 g/cm3 |
Solubility: | Insoluble in water; soluble in alcohol. |
Appearance: | White powder |
Storage: | Store tightly sealed under inert gas in a cool, well-ventilated area. |
MDL: | MFCD00008437 |
LogP: | 1.48180 |
Stability: | Stable under normal temperatures and pressures. |
Publication Number | Title | Priority Date |
CN-113248373-A | Preparation method of methyl benzoate compound | 20210531 |
CN-113244942-A | Non-metal nitrogen-doped porous carbon catalyst and method for preparing methyl carboxylate compound | 20210427 |
CN-112457914-A | Spicy base for improving smoking comfort of heated cigarettes and application thereof | 20201027 |
JP-6830562-B1 | Manufacturing method of Mg-containing particles | 20201023 |
US-11033516-B1 | Combination therapies with disulfiram | 20200918 |
PMID | Publication Date | Title | Journal |
21546308 | 20110701 | Honeybees Apis mellifera can detect the scent of Mycobacterium tuberculosis | Tuberculosis (Edinburgh, Scotland) |
21402476 | 20110415 | Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives | Bioorganic & medicinal chemistry letters |
20070087 | 20100210 | Chemical composition of French mimosa absolute oil | Journal of agricultural and food chemistry |
19703411 | 20091106 | Synthesis of [(125)I]iodoDPA-713: a new probe for imaging inflammation | Biochemical and biophysical research communications |
18296120 | 20080701 | The scent of Mycobacterium tuberculosis | Tuberculosis (Edinburgh, Scotland) |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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