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HomeProduct name list(R)-5,7-difluorochroman-4-ol

(R)-5,7-difluorochroman-4-ol

  • CAS NO.:1270294-05-7
  • Empirical Formula: C9H8F2O2
  • Molecular Weight: 186.16
  • MDL number: MFCD09763634
  • Update Date: 2024-04-15 18:41:30
(R)-5,7-difluorochroman-4-ol Structural

What is (R)-5,7-difluorochroman-4-ol?

The Uses of (R)-5,7-difluorochroman-4-ol

(R)-5,7-difluorochroman-4-ol is an important intermediate in the synthesis of tegoprazan[1].

Production Methods

Preparing (R)-5,7-difluorochroman-4-ol involves taking 5, 7-difluorochroman-4-one as substrate and performing asymmetric reduction reaction in the presence of ketoreductase, coenzyme and coenzyme circulating system to obtain (R)-5,7-difluorochroman-4-ol, where ketoreductase is one or combination of two or more of short-chain dehydrogenases/reductases family (SDR), medium-chain dehydrogenases/reductase (MDR) or aldo-Keto reductase (AKR)[1].

References

[1]PAN X, et al. "Preparing (R)-5,7-difluorochroman-4-ol involves taking 5, 7-difluorochroman-4-one as substrate, and performing asymmetric reduction reaction in the presence of ketoreductase, coenzyme and coenzyme circulating system to obtain (R)-5,7-difluorochroman-4-ol.", CN202210486605.0. 2022.

Properties of (R)-5,7-difluorochroman-4-ol

Boiling point: 228.4±40.0 °C(Predicted)
Density  1.402±0.06 g/cm3(Predicted)
pka 13.09±0.20(Predicted)
InChI InChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m1/s1

Safety information for (R)-5,7-difluorochroman-4-ol

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for (R)-5,7-difluorochroman-4-ol

InChIKey HGTYMLFMXKYIQW-SSDOTTSWSA-N
SMILES C1OC2=CC(F)=CC(F)=C2[C@H](O)C1

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