Ethyl 5-methylisoxazole-4-carboxylate - CAS 51135-73-0

Catalog:	BB027343
Product Name:	Ethyl 5-methylisoxazole-4-carboxylate
CAS:	51135-73-0
Synonyms:	ethyl 5-methyl-1,2-oxazole-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-methyl-1,2-oxazole-4-carboxylate
Description:	Ethyl 5-methylisoxazole-4-carboxylate (CAS# 51135-73-0) is a useful research chemical.
Molecular Weight:	155.15
Molecular Formula:	C7H9NO3
Canonical SMILES:	CCOC(=O)C1=C(ON=C1)C
InChI:	InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-8-11-5(6)2/h4H,3H2,1-2H3
InChI Key:	KOMSQTMQKWSQDW-UHFFFAOYSA-N
Boiling Point:	280.6 °C at 760 mmHg
Purity:	95 %
Density:	1.118 g/cm³
Appearance:	Clear colorless liquid
MDL:	MFCD01631119
LogP:	1.15970

Publication Number	Title	Priority Date
CN-111233779-A	Preparation method of leflunomide	20200402
CN-111233779-B	Preparation method of leflunomide	20200402
CN-110669022-A	Micro-channel continuous preparation method of 5-methyl isoxazole-4-formic acid	20191031
WO-2020230134-A1	Acss2 inhibitors and methods of use thereof	20190514
TW-202016106-A	Novel isoxazolate derivatives as GABA-AÎ±5 forward ectopic regulator (PAM)	20180613

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

Isoxazoles

[1018168-48-3]
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid
[903131-45-3]
5-(Boc-aminomethyl)-3-bromoisoxazole
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
[207291-72-3]
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.058243149
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.058243149
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1