Ethyl 2-Cyano-4,4-diethoxybutanoate - CAS 52133-67-2

Catalog:	BB027726
Product Name:	Ethyl 2-Cyano-4,4-diethoxybutanoate
CAS:	52133-67-2
Synonyms:	2-cyano-4,4-diethoxybutanoic acid ethyl ester; ethyl 2-cyano-4,4-diethoxybutanoate

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	ethyl 2-cyano-4,4-diethoxybutanoate
Description:	Ethyl 2-Cyano-4,4-diethoxybutanoate (CAS# 52133-67-2) is a compound useful in organic synthesis.
Molecular Weight:	229.27
Molecular Formula:	C11H19NO4
Canonical SMILES:	CCOC(CC(C#N)C(=O)OCC)OCC
InChI:	InChI=1S/C11H19NO4/c1-4-14-10(15-5-2)7-9(8-12)11(13)16-6-3/h9-10H,4-7H2,1-3H3
InChI Key:	AHKACZDKUNMFBD-UHFFFAOYSA-N
Boiling Point:	335.2 °C at 760 mmHg
Density:	1.025 g/cm³
Appearance:	Liquid
MDL:	MFCD02094250
LogP:	1.47848

Publication Number	Title	Priority Date
CN-107722012-B	Process for preparing 4-chloro-7H-pyrrolo [2,3-d ] pyrimidines	20160811
EP-3472169-A1	METHOD OF MANUFACTURING 4-CHLORO-7H-PYRROLO[2,3-d]PYRIMIDINE	20160811
US-2019169200-A1	Novel method of manufacturing 4-chloro-7h-pyrrolo[2,3-d]pyrimidine	20160811
WO-2018029641-A1	METHOD OF MANUFACTURING 4-CHLORO-7H-PYRROLO[2,3-d]PYRIMIDINE	20160811
US-10738058-B2	Method of manufacturing 4-chloro-7H-pyrrolo[2,3-D]pyrimidine	20160811

PMID	Publication Date	Title	Journal
20973488	20101125	Synthesis and discovery of water-soluble microtubule targeting agents that bind to the colchicine site on tubulin and circumvent Pgp mediated resistance	Journal of medicinal chemistry
6547745	19840801	Isomeric N-methyl-7-deazaguanines: synthesis, structural assignment, and inhibitory activity on xanthine oxidase	Journal of medicinal chemistry

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[351-28-0]
3'-Fluoroacetanilide
[1328640-88-5]
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.13140809
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.13140809
Rotatable Bond Count:	9
Topological Polar Surface Area:	68.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4