Chloromethyl pivalate - CAS 18997-19-8

Name: Chloromethyl pivalate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014685
Product Name:	Chloromethyl pivalate
CAS:	18997-19-8
Synonyms:	Propanoic acid, 2,2-dimethyl-, chloromethyl ester; Methanol, chloro-, pivalate; Pivalic acid, chloromethyl ester; (2,2-Dimethyl-1-oxopropoxy)methyl chloride; 2,2-Dimethylpropionic acid chloromethyl ester; [(tert-Butylcarbonyl)oxy]methyl chloride; Chloromethyl 2,2-dimethylpropionate; Chloromethyl trimethylacetate; Pivaloyloxymethyl chloride; POM-Cl; α,α-Dimethylpropionyloxymethyl chloride

Technical Data

IUPAC Name:	chloromethyl 2,2-dimethylpropanoate
Description:	Chloromethyl pivalate (CAS# 18997-19-8) is used in the synthesis of oxazolines used in the preparation of imidazolium triflates. Also used in the synthesis of Src Kinase inhibitors used as anti-tumor agents.
Molecular Weight:	150.60
Molecular Formula:	C6H11ClO2
Canonical SMILES:	CC(C)(C)C(=O)OCCl
InChI:	InChI=1S/C6H11ClO2/c1-6(2,3)5(8)9-4-7/h4H2,1-3H3
InChI Key:	GGRHYQCXXYLUTL-UHFFFAOYSA-N
Boiling Point:	80°C at 15 mmHg
Melting Point:	132-135°C
Purity:	≥95%
Density:	1.056±0.06 g/cm3
Appearance:	Clear colorless to slightly yellow liquid
MDL:	MFCD00000884
LogP:	1.77200

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
17615587	20070801	Synthesis and biological evaluation of phosphate prodrugs of 4-phospho-D-erythronohydroxamic acid, an inhibitor of 6-phosphogluconate dehydrogenase	ChemMedChem
1332606	19920901	Synthesis and in vitro evaluation of a phosphonate prodrug: bis(pivaloyloxymethyl) 9-(2-phosphonylmethoxyethyl)adenine	Antiviral research

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0447573
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.0447573
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2