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Methyl 2-(chloromethyl)oxazole-4-carboxylate - CAS 208465-72-9

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Category
Main Product
Product Name
Methyl 2-(chloromethyl)oxazole-4-carboxylate
Catalog Number
208465-72-9
Synonyms
METHYL 2-(CHLOROMETHYL)-1,3-OXAZOLE-4-CARBOXYLATE;METHYL (2-CHLOROMETHYL)OXAZOLE-4-CARBOXYLATE;METHYL 2-CHLOROMETHYL-4-OXAZOLECARBOXYLATE;2-CHLOROMETHYL-OXAZOLE-4-CARBOXYLIC ACID METHYL ESTER;Methyl 2-(chloromethyl)-1,3-oxazole-4-carboxylate 97%
CAS Number
208465-72-9
Molecular Weight
175.56
Molecular Formula
C6H6ClNO3
COA
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MSDS
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Canonical SMILES
COC(=O)C1=COC(=N1)CCl
InChI
InChI=1S/C6H6ClNO3/c1-10-6(9)4-3-11-5(2-7)8-4/h3H,2H2,1H3
InChIKey
CMUKPCIZFMTLKD-UHFFFAOYSA-N
Structure
CAS 208465-72-9 Methyl 2-(chloromethyl)oxazole-4-carboxylate
Specification
Purity
95%
Boiling Point
229.7ºC at 760mmHg
Melting Point
74ºC
Density
1.339g/cm3
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Reference Reading
1.Physicochemical and crystallographic evidence for polymorphism of the racemic ethyl (2-chloromethyl-2,3-dihydro-5H-oxazolo [3, 2-a]pyrimidin-5-one)-6-carboxylate.
Chaimbault C1, Bosc JJ, Leger JM, Negrier P, Capelle F, Jarry C. J Pharm Sci. 2000 Nov;89(11):1496-504.
The various crystalline forms of an original bicyclic compound [ethyl (2-chloromethyl-2,3-dihydro-5H-oxazolo[3, 2-a]pyrimidin-5-one)-6-carboxylate); EOC] have been obtained and characterized by powder and single-crystal X-ray diffraction, differential scanning calorimetry (DSC), and infrared (IR) and Raman spectroscopy. At 4 degrees C in methanol, a monoclinic racemate (form II) crystallized from the racemic mixture, whereas at 20 degrees C, an orthorhombic racemate (form I) was isolated in trichloroethylene. By increasing the temperature, a solid-solid transition from the stable form II to the stable form I was observed with a Guinier-Simon camera. A I --> II transformation was observed at ambient temperature by DSC.
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