Methyl p-anisate - CAS 121-98-2

Name: Methyl p-anisate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

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