Acetylacetaldehyde dimethyl acetal

CAS No.：5436-21-5

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Acetylacetaldehyde dimethyl acetal Basic information

Product Name:	Acetylacetaldehyde dimethyl acetal
Synonyms:	AADMA;ACETYLACETALDEHYDE DIMETHYL ACETAL;ACETOACETALDEHYDE-1,1-DIMETHYL ACETAL;ACETOACETALDEHYDE DIMETHYL ACETAL;3-OXOBUTYRALDEHYDE DIMETHYLACETAL;3-KETOBUTYRALDEHYDE-1-DIMETHYLACETAL;3-KETOBUTYRALDEHYDE DIMETHYL ACETAL;3-KETOBUTYRIC ALDEHYDE 1-DIMETHYL ACETAL
CAS:	5436-21-5
MF:	C6H12O3
MW:	132.16
EINECS:	226-605-1
Product Categories:	Pharmaceutical Intermediates;bc0001
Mol File:	5436-21-5.mol

Acetylacetaldehyde dimethyl acetal Chemical Properties

Melting point	-82 °C
Boiling point	70-73 °C/20 mmHg (lit.)
density	0.996 g/mL at 25 °C (lit.)
refractive index	n20/D 1.414(lit.)
FEMA	3381 \| 3-OXOBUTANAL DIMETHYL ACETAL
Fp	121 °F
storage temp.	Inert atmosphere,Room Temperature
form	Liquid
color	Clear colorless to yellow
Water Solubility	decomposes
JECFA Number	593
BRN	1702372
InChIKey	PJCCSZUMZMCWSX-UHFFFAOYSA-N
CAS DataBase Reference	5436-21-5(CAS DataBase Reference)
NIST Chemistry Reference	2-Butanone, 4,4-dimethoxy-(5436-21-5)
EPA Substance Registry System	2-Butanone, 4,4-dimethoxy- (5436-21-5)

Safety Information

Hazard Codes	F
Risk Statements	10
Safety Statements	16
RIDADR	UN 1989 3/PG 3
WGK Germany	2
RTECS	EL7592500
TSCA	Yes
HazardClass	3
PackingGroup	III
HS Code	29145000

MSDS Information

Provider	Language
KBA	English
ACROS	English
SigmaAldrich	English
ALFA	English

Acetylacetaldehyde dimethyl acetal Usage And Synthesis

Chemical Properties	Clear colorless to yellow liquid
Uses	Acetaldehyde dimethyl acetal is used as a flavoring agent. It is also used in the preparation of (R)-4,4-dimethoxy-2-butanol, pyrazoles and pyrimidines. Further, it is used in the preparation of N,N-diethyl-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]-pyrimidin-3-yl]acetamide and acetoacetaldehyde.
Uses	4,4-Dimethoxy-2-butanone (β-ketobutyracetal) may be used in the preparation of: (R)-4,4-dimethoxy-2-butanol pyrazoles and pyrimidines [7,16-dihydro- 6,15( 17)-dimetbyldibenzo[b,i]-[1,4,8,11]tetrilazacyclotetradecinato-N⁵,N⁹,N¹⁴,N¹⁸]nickel{II)
Synthesis Reference(s)	The Journal of Organic Chemistry, 41, p. 3765, 1976 DOI: 10.1021/jo00885a028Tetrahedron Letters, 28, p. 6657, 1987 DOI: 10.1016/S0040-4039(00)96938-7
General Description	4,4-Dimethoxy-2-butanone (Acetylacetaldehyde dimethylacetal) is a ketone.

Acetylacetaldehyde dimethyl acetal Preparation Products And Raw materials

Raw materials	Methanol
Preparation Products	Ethyl 5-methyl-1H-pyrrole-2-carboxylate-->1-METHOXY-3-TRIMETHYLSILOXY-1,3-BUTADIENE-->3-Methyl-2-furoic acid-->METHYL 3-METHYL-2-FUROATE-->4-METHOXY-3-BUTEN-2-ONE-->2-FLUORO-6-METHYLNAPHTHALENE-->4-METHYL-PYRIMIDINE-2-SULFONYL FLUORIDE-->5-METHYL-4-ISOXAZOLESULFONYL CHLORIDE-->2-METHANESULFONYL-4-METHYL-PYRIMIDINE-->4-METHYL-2-(METHYLSULFANYL)PYRIMIDINE-->3-METHYL-1-PHENYLPYRAZOLE

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