Ethyl 2,2-Difluoro-2-(2-pyridyl)acetate - CAS 267876-28-8

Catalog:	BB019362
Product Name:	Ethyl 2,2-Difluoro-2-(2-pyridyl)acetate
CAS:	267876-28-8
Synonyms:	2,2-difluoro-2-(2-pyridinyl)acetic acid ethyl ester; ethyl 2,2-difluoro-2-pyridin-2-ylacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2,2-difluoro-2-pyridin-2-ylacetate
Description:	Ethyl 2,2-Difluoro-2-(2-pyridyl)acetate (CAS# 267876-28-8) is a useful research chemical.
Molecular Weight:	201.17
Molecular Formula:	C9H9F2NO2
Canonical SMILES:	CCOC(=O)C(C1=CC=CC=N1)(F)F
InChI:	InChI=1S/C9H9F2NO2/c1-2-14-8(13)9(10,11)7-5-3-4-6-12-7/h3-6H,2H2,1H3
InChI Key:	AHLZMMPDDACOQX-UHFFFAOYSA-N
Boiling Point:	244.2 °C at 760 mmHg
Density:	1.228 g/cm³
MDL:	MFCD06858718
LogP:	1.73650

Publication Number	Title	Priority Date
WO-2020037109-A1	Processes for fluorination	20180817
DK-3194403-T3	PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS	20140915
EP-3194403-B1	Pyrrolopyrimidine derivatives as nr2b nmda receptor antagonists	20140915
US-10420768-B2	Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists	20140915
US-2016075713-A1	Pyrrolopyrimidine derivatives as nr2b nmda receptor antagonists	20140915

PMID	Publication Date	Title	Journal
22219855	20111101	Poly[bis-[μ(2)-1,4-bis-(1H-imidazol-1-yl)butane]-dichloridonickel(II)]	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic 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:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.06013485
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.06013485
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8