Methyl 4-methoxybutyrate - CAS 29006-01-7

Catalog:	BB020044
Product Name:	Methyl 4-methoxybutyrate
CAS:	29006-01-7
Synonyms:	methyl 4-methoxybutanoate

Technical Data

Safety and Hazards

Patents

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Computed Properties

IUPAC Name:	methyl 4-methoxybutanoate
Description:	Methyl 4-methoxybutyrate (CAS# 29006-01-7) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	COCCCC(=O)OC
InChI:	InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
InChI Key:	VHDGWXQBVWAMJA-UHFFFAOYSA-N
Boiling Point:	155 °C
Purity:	95 %
Density:	0.961 g/cm³
MDL:	MFCD00274316
LogP:	0.58600

Publication Number	Title	Priority Date
CN-113185403-A	Method for preparing cyclopropylamine intermediate methyl cyclopropanecarboxylate from methyl ether	20210702
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
KR-20200114761-A	A cleaning composition	20190329
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118
JP-2020083789-A	Method for producing N-methyl cyclic amide	20181119

PMID	Publication Date	Title	Journal
16991170	20061101	Molecular basis for the enhanced lipase-catalyzed N-acylation of 1-phenylethanamine with methoxyacetate	Chembiochem : a European journal of chemical biology

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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
[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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	80.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6