Methyl 3-hydroxy-5-isoxazolecarboxylate - CAS 10068-07-2

Catalog:	BB000292
Product Name:	Methyl 3-hydroxy-5-isoxazolecarboxylate
CAS:	10068-07-2
Synonyms:	methyl 3-oxo-1,2-oxazole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-oxo-1,2-oxazole-5-carboxylate
Description:	Methyl 3-hydroxy-5-isoxazolecarboxylate (CAS# 10068-07-2) is an interesting intermediate.
Molecular Weight:	143.10
Molecular Formula:	C5H5NO4
Canonical SMILES:	COC(=O)C1=CC(=O)NO1
InChI:	InChI=1S/C5H5NO4/c1-9-5(8)3-2-4(7)6-10-3/h2H,1H3,(H,6,7)
InChI Key:	BBFWUUBQSXVHHZ-UHFFFAOYSA-N
Boiling Point:	332.9 °C at 760 mmHg
Melting Point:	160-163 °C
Purity:	98 %
Density:	1.414 g/cm³
Appearance:	Light yellow powder
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00062870
LogP:	0.16680

Publication Number	Title	Priority Date
WO-2021107113-A1	Benzimidazole compound or salts thereof, agricultural and horticultural insecticide/acaricide containing said compound, and method for using same	20191128
WO-2020252353-A1	Amino acid transport inhibitors and the uses thereof	20190612
CN-111518044-A	Alkoxy isoxazole derivative and preparation method and application thereof	20190201
WO-2020051564-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
AU-2019335516-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907

PMID	Publication Date	Title	Journal
17691796	20070830	A practical, enantioselective synthetic route to a key precursor to the tetracycline antibiotics	Organic letters
18437227	20070101	Imaging GABAc receptors with ligand-conjugated quantum dots	Journal of biomedicine & biotechnology

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Isoxazoles

[712347-12-1]
3-(2-Chloro-6-fluorophenyl)-4,5-dihydroisoxazole-5-carboxylic acid
[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[40279-32-1]
Ethyl 2-(methylthio)-1,3-thiazole-4-carboxylate
[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
[625120-13-0]
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
[7063-99-2]
Ethyl 5-phenylisoxazole-3-carboxylate

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:	208
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.02185764
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.02185764
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2