1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloromethyl)-,(3R,7aS)-


Chemical Name: 1H,3H-Pyrrolo[1,2-c]oxazol-1-one, tetrahydro-3-(trichloromethyl)-,(3R,7aS)-
CAS Number: 97538-67-5
Product Number: AG005ZAO(AGN-PC-0W77VX)
Synonyms:
MDL No:
Molecular Formula: C7H8Cl3NO2
Molecular Weight: 244.5029

Identification/Properties


Properties
MP:
108-112°C
BP:
338.6 °C at 760 mmHg
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.496g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
242.962g/mol
Monoisotopic Mass:
242.962g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
240
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



The compound (3R,7aS)-3-(Trichloromethyl)tetrahydropyrrolo[1,2-c]oxazol-1(3H)-one plays a crucial role in chemical synthesis as a versatile building block. With its unique structure and reactivity, it can be utilized in various reactions to access complex molecular architectures. In particular, the trichloromethyl group provides a significant handle for further functionalization, allowing for the introduction of diverse chemical functionalities. This compound's use in synthesis enables the creation of novel compounds and the modification of existing molecules for a wide range of applications in medicinal chemistry, material science, and beyond.