(2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol | CAS No. 164650-45-7

(2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol

Basic Information

CAS Number

164650-45-7

Molecular Formula

C18H22F2N4O

Molecular Weight

348.39 g/mol

AD

Basic Physical Properties

C[C@@H]([C@@](Cn1cncn1)(c2ccc(cc2F)F)O)N3CCC(=C)CC3

InChI

InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m0/s1

InChIKey

NFEZZTICAUWDHU-KSSFIOAISA-N

LogP

2.4846000000000004

Topological Polar Surface Area

54.18 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

470

Synonyms & References

English

  • ent-Efinaconazole
  • S,S-Efinaconazole
  • Efinaconazole Related Impurity 3
  • (2S,3S)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • (alphaS,betaS)-alpha-(2,4-Difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol
  • 2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • 2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
  • 2-(2,4-Difluorophenyl)-3-(4-methylenepiperidyl)-1-(1,2,4-triazolyl)butan-2-ol
  • (
  • AR,
  • AR)-,
  • A-(2,4-Difluorophenyl)-
  • A-methyl-4-methylene-
  • A-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol
  • 1-(1-Methyl-2-(2,4-difluorophenyl)-2-hydroxy

MDL Number

MFCD30343838

FAQ

What regulatory guidelines apply to (2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 164650-45-7)?

This compound requires adherence to GHS classification, including flammability and toxicity categories. Under REACH regulations, it may be subject to reporting and registration if its production or import exceeds certain thresholds. FDA and EPA may also require specific handling and disposal guidelines for this compound in the context of pharmaceutical or agricultural use.

Are there alternatives to (2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 164650-45-7) in synthesis?

Alternative reagents such as (2S,3S)-2-(2,4-difluorophenyl)-3-(4-methylene-1-piperidinyl)-2-butanol or isomers can be used as alternatives. For specific applications, one might consider using similar chemical structures or functional groups to achieve similar effects.

What is the market or research trend for (2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 164650-45-7)?

There is growing interest in this compound due to its potential in pharmaceutical applications. Research trends indicate increasing focus on its use as an intermediate in drug synthesis and in developing new chemical entities. Market trends suggest a demand for more efficient synthesis routes and safer handling practices.

How should waste containing (2S,3S)-2-(2,4-Difluorophenyl)-3-(4-methylene-1-piperidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS: 164650-45-7) be handled?

Waste containing this compound should be collected in appropriate containers and stored safely to prevent exposure. Incineration may be a suitable method for disposal, but it must be conducted under controlled conditions. Professional waste disposal services are recommended to ensure compliance with environmental regulations and minimize environmental impact.

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