tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate

Basic Information

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CAS Number

1172623-98-1

Molecular Formula

C16H19F2NO3

Molecular Weight

311.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

395.8±42.0°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C16H19F2NO3/c1-16(2,3)22-15(20)19-13-5-4-8-21-14(13)11-9-10(17)6-7-12(11)18/h4,6-9,13-14H,5H2,1-3H3,(H,19,20)/t13-,14+/m0/s1

InChIKey

OLXPRJZWYJVTID-UONOGXRCSA-N

LogP

3.8332000000000033

Topological Polar Surface Area

47.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

422

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

N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-Carbamic acid 1,1-dimethylethyl ester
Tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbaMate
MK-3102 intermediate
N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-Carbamic acid tert-butyl ester
Omarigliptin intermediate
Carbamic acid, N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-, 1,1-dimethylethyl ester
AK174057
AMBZ0102
tert-butyl N-[(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
AM85494
SB17967
N-[2alpha-(2,5-Difluoropheny
CS-M3106
AKOS025396351
W11746
SCHEMBL17121794
tert-butyl [(2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]carbamate
tert-butyl((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbaMate
1207984-91-5
F30009
1172623-98-1
N-[(2R,3S)-2-(2,5-Difluorophenyl)-3,4-dihydro-2H-pyran-3-yl]-carbamic acid 1,1-dimethylethyl ester
C16H19F2NO3
(2R,3S)-N-Boc-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-amine
DS-8574
AC-31673
tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate
Trans-Tert-Butyl (2-(2,5-Difluorophenyl)-3,4-Dihydro-2H-Pyran-3-Yl)Carbamate

MDL Number

MFCD28144045

FAQ

What regulatory guidelines apply to tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate (CAS: 1172623-98-1)?

This compound must comply with GHS classification for hazardous chemicals, REACH regulations in the EU for registration, evaluation, authorization, and restriction of chemicals, and FDA/EPA requirements for safety and environmental impact assessments. It is also subject to local and international regulations regarding storage, transport, and disposal.

Are there alternatives to tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate (CAS: 1172623-98-1) in synthesis?

Common alternatives include using other cyclic esters such as tetrahydrofuran or other carbamates with different substituents. Isomers and analogs like (2S,3R)-isomers or related pyran derivatives may also be considered as substitutes depending on the specific reaction conditions and desired product properties.

What is the market or research trend for tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate (CAS: 1172623-98-1)?

Research trends for this compound indicate increased interest in its use as a chiral building block for pharmaceuticals and agrochemicals. Market trends suggest growing demand, driven by advancements in synthetic methodologies and the expansion of applications in drug discovery and development.

How should waste containing tert-butyl ((2R,3S)-2-(2,5-difluorophenyl)-3,4-dihydro-2H-pyran-3-yl)carbamate (CAS: 1172623-98-1) be handled?

Waste containing this compound should be collected and disposed of in accordance with local and international regulations. Proper incineration or professional waste disposal services are recommended to ensure environmental safety. Additional precautions include neutralizing the waste before disposal and following strict environmental protection guidelines.