2,4,4-Trimethyl-2-oxazoline - CAS 1772-43-6

Catalog:	BB013280
Product Name:	2,4,4-Trimethyl-2-oxazoline
CAS:	1772-43-6
Synonyms:	2,4,4-trimethyl-5H-1,3-oxazole

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IUPAC Name:	2,4,4-trimethyl-5H-1,3-oxazole
Description:	2,4,4-Trimethyl-2-oxazoline (CAS# 1772-43-6) is a useful building block and has been used in the preparation of imides by ring opening of heterocycles by reactions of acyl palladium species.
Molecular Weight:	113.16
Molecular Formula:	C6H11NO
Canonical SMILES:	CC1=NC(CO1)(C)C
InChI:	InChI=1S/C6H11NO/c1-5-7-6(2,3)4-8-5/h4H2,1-3H3
InChI Key:	HZRZMHNRCSIQFT-UHFFFAOYSA-N
Boiling Point:	112-113 °C
Melting Point:	113-114 °C
Purity:	95 %
Density:	0.99 g/cm³
Appearance:	Clear colourless liquid
MDL:	MFCD00005301
LogP:	0.64920

Publication Number	Title	Priority Date
WO-2021015727-A1	Fabric coating compositions	20190722
CN-109879830-A	A kind of oxaza heptane derivative and preparation method thereof containing exocyclic double bond	20190327
CA-3066794-A1	Oxazoline modified dispersants	20190111
CN-111434756-A	Oxazoline modified dispersant	20190111
EP-3680312-A1	Oxazoline modified dispersants	20190111

PMID	Publication Date	Title	Journal
17049508	20061101	Chemical C2-elongation of polyunsaturated fatty acids	Chemistry and physics of lipids
15609964	20041224	Decomposition of alkene adducts of thianthrene cation radical in nitrile solvents. Formation of alkyl-2-oxazolines and a new class of four-component products: 5-[(1-alkoxyalkylidene)ammonio]alkylthianthrenium diperchlorates	The Journal of organic chemistry

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Danger

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.084063974
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	113.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4