tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate

Basic Information

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CAS Number

951127-25-6

Molecular Formula

C16H19F2NO4

Molecular Weight

327.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

433.4°C at 760 mmHg

Density

1.25±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(C)(C)OC(=O)NC1CC(=O)COC1C2=C(C=CC(=C2)F)F

InChI

InChI=1S/C16H19F2NO4/c1-16(2,3)23-15(21)19-13-7-10(20)8-22-14(13)11-6-9(17)4-5-12(11)18/h4-6,13-14H,7-8H2,1-3H3,(H,19,21)/t13-,14+/m0/s1

InChIKey

OTCULXVRRSCLLI-UONOGXRCSA-N

LogP

2.888600000000001

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

452

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

TERT-BUTYL ((2R,3S)-2-(2,5-DIFLUOROPHENYL)-5-OXOTETRAHYDRO-2H-PYRAN-3-YL)CARBAMATE
CPo3604-01
N-[(2R,3S)-2-(2,5-Difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamic Acid 1,1-Dimethylethyl Ester
Omarigliptin intermediate I
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pvran-3 yl]carbamate
tert-butyl [(2R,3S)-5-oxo-2-(2,5-difluorophenyl)tetradihydro-2H-pyran-3-yl]carbaMate
tert-Butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-oxo-tetrahydropyran-3-yl]carbamate
MK3102 Intermediate1
Omarigliptin
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl]carbamate
tert-butyl [(2R,3S)-5-oxo-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]carbamate
tert-butyl [(2R,5S)-5-oxo-2-(2,5-difluorophenyl)tetrahydro-2H-pyran-3-yl]carba
Carbamic acid, N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-5-oxooxan-3-yl]carbamate
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pvra
1,1-Dimethylethyl N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamate (ACI)
tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate
1,1-Dimethylethyl N-[(2R,3S)-2-(2,5-difluorophenyl)tetrahydro-5-oxo-2H-pyran-3-yl]carbamate
Cpo3604-01
DS-8553
SCHEMBL12761887
CS-M3207
951127-25-6
MFCD20926096
tert-butyl[(2r,3s)-5-oxo-2-(2,5-difluorophenyl)tetrahydro-2h-pyran-3-yl]carbamate
N-?[(2S,?3S)?-?2-?(2,?5-Difluorophenyl)?tetrahydro-?5-?oxo-?2H-?pyran-?3-?yl]?carbamic acid?, 1,?1-Ddimethylethyl Ester
AC-28993
tert-butyl((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate
AKOS025396333
MK-3102 intermediate
tert-butyl[(2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl]carbamate

MDL Number

MFCD20926096

FAQ

What are the physical and chemical properties of tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate (CAS: 951127-25-6)?

The compound is a crystalline solid with a molecular weight of approximately 369.36 g/mol. It has low water solubility and moderate solubility in organic solvents. The compound is reactive and can undergo hydrolysis. It is stable under normal conditions but should be stored in a dry, cool environment.

How is tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate (CAS: 951127-25-6) typically synthesized?

It is typically synthesized via a multistep process involving protection of a hydroxyl group, followed by esterification, and finally, a condensation reaction. The synthesis requires careful control of reaction conditions and the use of specific catalysts to achieve high yield and selectivity.

What industries use tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate (CAS: 951127-25-6)?

The compound is used in the pharmaceutical industry for the synthesis of complex organic molecules. It is also utilized in polymer manufacturing for the creation of advanced materials with specific properties. Additionally, it has potential applications in the development of sensors and semiconductors.

What precautions should be taken when handling tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-5-oxotetrahydro-2H-pyran-3-yl)carbamate (CAS: 951127-25-6)?

Proper personal protective equipment (PPE) such as gloves and safety glasses is required when handling the compound. It should be stored in a dry, cool environment and used in a well-ventilated area or a fume hood. Spills should be cleaned up with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed instructions on handling and disposal.