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Merck
CN

556823

Sigma-Aldrich

4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-piperidinol

97%

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About This Item

Empirical Formula (Hill Notation):
C12H13ClF3NO
CAS Number:
Molecular Weight:
279.69
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Assay

97%

mp

138-141 °C (lit.)

SMILES string

OC1(CCNCC1)c2ccc(Cl)c(c2)C(F)(F)F

InChI

1S/C12H13ClF3NO/c13-10-2-1-8(7-9(10)12(14,15)16)11(18)3-5-17-6-4-11/h1-2,7,17-18H,3-6H2

InChI key

RALRVIPTUXSBPO-UHFFFAOYSA-N

Application

4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-piperidinol may be used to synthesize piperidinols and penfluridol (a neuroleptic agent).

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Rhodium catalyzed hydroformylation of 1, 1-bis (p-fluorophenyl) allyl or propargyl alcohol: a key step in the synthesis of Fluspirilen and Penfluridol.
Botteghi C, et al.
Tetrahedron, 57(8), 1631-1637 (2001)
Dianqing Sun et al.
Bioorganic & medicinal chemistry, 17(10), 3588-3594 (2009-04-24)
Direct anti-tuberculosis screening of commercially available compound libraries identified a novel piperidinol with interesting anti-tuberculosis activity and drug like characteristics. To generate a structure activity relationship about this hit a 22 member optimization library was generated using parallel synthesis. Products

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