Phthalimidoacetaldehyde diethyl acetal - CAS 78902-09-7

Catalog:	BB036256
Product Name:	Phthalimidoacetaldehyde diethyl acetal
CAS:	78902-09-7
Synonyms:	2-(2,2-diethoxyethyl)isoindole-1,3-dione

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(2,2-diethoxyethyl)isoindole-1,3-dione
Description:	Phthalimidoacetaldehyde diethyl acetal (CAS# 78902-09-7) is a useful research chemical.
Molecular Weight:	263.29
Molecular Formula:	C14H17NO4
Canonical SMILES:	CCOC(CN1C(=O)C2=CC=CC=C2C1=O)OCC
InChI:	InChI=1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3
InChI Key:	GEFXJJJQUSEHLV-UHFFFAOYSA-N
Boiling Point:	372.3 °C at 760 mmHg
Density:	1.2 g/cm³
MDL:	MFCD00005901
LogP:	1.61960

Publication Number	Title	Priority Date
CN-109369507-A	A kind of method of purification of N- (2,2- diethoxy ethyl) phthalimide	20181226
WO-2020087202-A1	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of m4 muscarinic acetylcholine receptor	20181029
WO-2020092102-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
EP-3873467-A2	3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor	20181029
US-10653711-B2	6-6 bicyclic aromatic ring substituted nucleoside analogues for use as PRMT5 inhibitors	20150826

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Related Functional Groups

Carbonyl Compounds

[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
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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:	314
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.11575802
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.11575802
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1