(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
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) |
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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