Aminoacetaldehyde diethyl acetal - CAS 645-36-3

Catalog:	BB032494
Product Name:	Aminoacetaldehyde diethyl acetal
CAS:	645-36-3
Synonyms:	2,2-diethoxyethanamine

Technical Data

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Computed Properties

IUPAC Name:	2,2-diethoxyethanamine
Description:	Aminoacetaldehyde diethyl acetal (CAS# 645-36-3) is a useful synthetic intermediate. It can be used as a building block for imidazole containing compounds such as 5-bromo-2-(1H-imidazol-2-yl)pyridine and heteroaryl-2-imidazoles.
Molecular Weight:	133.19
Molecular Formula:	C6H15NO2
Canonical SMILES:	CCOC(CN)OCC
InChI:	InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3
InChI Key:	HJKLEAOXCZIMPI-UHFFFAOYSA-N
Boiling Point:	162-163 ℃
Purity:	95 %
Density:	0.916 g/cm³
MDL:	MFCD00008136
LogP:	1.04450

Publication Number	Title	Priority Date
CN-113292493-A	Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline	20210623
CN-113480441-A	Method for preparing aminoacetaldehyde dialkyl acetal	20210615
CN-112778772-A	Antibacterial composite hydrogel and preparation method and application thereof	20201231
CN-112321506-A	Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline	20201126
WO-2021192270-A1	Hydrous patch	20200327

PMID	Publication Date	Title	Journal
22674827	20120702	sp2-Iminosugar O-, S-, and N-glycosides as conformational mimics of α-linked disaccharides; implications for glycosidase inhibition	Chemistry (Weinheim an der Bergstrasse, Germany)
22263723	20120217	Stereocontrolled synthesis of substituted chiral piperidines via one-pot asymmetric 6π-azaelectrocyclization: asymmetric syntheses of (-)-dendroprimine, (+)-7-epidendroprimine, (+)-5-epidendroprimine, and (+)-5,7-epidendroprimine	The Journal of organic chemistry
18989927	20081205	Concise stereocontrolled formal synthesis of (+/-)-quinine and total synthesis of (+/-)-7- hydroxyquinine via merged Morita-Baylis-Hillman-Tsuji-Trost cyclization	The Journal of organic chemistry
16898823	20060817	Development of a one-pot asymmetric azaelectrocyclization protocol: synthesis of chiral 2,4-disubstituted 1,2,5,6-tetrahydropyridines	Organic letters
12520129	20030101	Naucleamides A-E, new monoterpene indole alkaloids from Nauclea latifolia	Chemical & pharmaceutical bulletin

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	53
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.110278721
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.110278721
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1