Benzenemethanol,2-amino-5-chloro-a-(2-cyclopropylethynyl)-a-(trifluoromethyl)-, (aR)-


Chemical Name: Benzenemethanol,2-amino-5-chloro-a-(2-cyclopropylethynyl)-a-(trifluoromethyl)-, (aR)-
CAS Number: 927812-33-7
Product Number: AG00GW1P(AGN-PC-0W1AGL)
Synonyms:
MDL No:
Molecular Formula: C13H11ClF3NO
Molecular Weight: 289.6807496

Identification/Properties


Properties
MP:
133-134°C
Storage:
-10 ℃;Inert atmosphere;
Computed Properties
Molecular Weight:
289.682g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
289.048g/mol
Monoisotopic Mass:
289.048g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
409
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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 (R)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol also known as $name$ finds essential applications in chemical synthesis as a versatile building block. Its unique structure combining an amino group, a cyclopropyl ring, chlorophenyl moiety, and trifluoromethyl group makes it a valuable intermediate in the preparation of complex organic molecules.In chemical synthesis, $name$ serves as a key starting material for the creation of novel pharmaceuticals, agrochemicals, and advanced materials. Its functional groups enable the introduction of various substituents through reactions such as acylation, alkylation, and nucleophilic substitution. This compound's chirality, represented by the (R) configuration, further enhances its utility in asymmetric synthesis for the selective creation of enantiomerically pure compounds.Researchers and synthetic chemists utilize (R)-2-(2-Amino-5-chlorophenyl)-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol as a strategic intermediate to access diverse chemical structures with tailored properties. By incorporating this compound into their synthetic routes, scientists can efficiently construct intricate molecules with specific biological activities or material characteristics.