ChemicalBook--->CAS DataBase List--->1270294-05-7

1270294-05-7

1270294-05-7 Structure

1270294-05-7 Structure
IdentificationBack Directory
[Name]

(R)-5,7-difluorochroman-4-ol
[CAS]

1270294-05-7
[Synonyms]

R-5,7-difluorobenzo dihydropyran-4-ol
(4R)-5,7-difluoro-3,4-dihydro-2H-1-benzopyran-4-ol
2H-1-Benzopyran-4-ol, 5,7-difluoro-3,4-dihydro-, (4R)-
[Molecular Formula]

C9H8F2O2
[MDL Number]

MFCD09763634
[MOL File]

1270294-05-7.mol
[Molecular Weight]

186.16
Chemical PropertiesBack Directory
[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
[InChIKey]

HGTYMLFMXKYIQW-SSDOTTSWSA-N
[SMILES]

C1OC2=CC(F)=CC(F)=C2[C@H](O)C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

(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.
Spectrum DetailBack Directory
[Spectrum Detail]

(R)-5,7-difluorochroman-4-ol(1270294-05-7)1HNMR
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