Methyl 4-methoxyacetoacetate - CAS 41051-15-4

Catalog:	BB024765
Product Name:	Methyl 4-methoxyacetoacetate
CAS:	41051-15-4
Synonyms:	methyl 4-methoxy-3-oxobutanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 4-methoxy-3-oxobutanoate
Description:	Methyl 4-methoxyacetoacetate (CAS# 41051-15-4) is a reactant in the formation of an abiotic poorphyrinogen in aqueous solution.
Molecular Weight:	146.14
Molecular Formula:	C6H10O4
Canonical SMILES:	COCC(=O)CC(=O)OC
InChI:	InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3
InChI Key:	QGBPKJFJAVDUNC-UHFFFAOYSA-N
Boiling Point:	89 °C (8.5 mmHg)
Purity:	98 %
Density:	1.129 g/cm³
Appearance:	Colorless to yellow liquid
LogP:	-0.23500

Publication Number	Title	Priority Date
CN-112624923-A	Preparation method of 4-methoxy methyl acetoacetate	20201217
CN-111892568-A	Daphnetin derivative serving as agonist as well as pharmaceutical composition and application of daphnetin derivative	20200903
CN-111533656-A	Synthesis method of tert-butyl 4-methoxy-3-oxobutyrate	20200527
CN-212594057-U	4-methoxy methyl acetoacetate crude vacuum distillation plant	20200508
CN-212700608-U	Wiped film type molecular distillation device for preparing 4-methoxy methyl acetoacetate	20200508

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Related Functional Groups

Carbonyl Compounds

[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
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H315 (96.23%): 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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.05790880
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.05790880
Rotatable Bond Count:	5
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1