[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate | CAS No. 122111-01-7

Q: Is [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) safe?

The safety of [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) depends on exposure conditions. While specific toxicity data may not be widely published, general precautions include wearing protective gloves, goggles, and lab coats. It should be handled in a well-ventilated area, following standard chemical safety protocols to minimize risks.

[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate

Basic Information

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CAS Number

122111-01-7

Molecular Formula

C19H14F2O6

Molecular Weight

376.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Physical State

Powder

Melting Point

121.0 to 125.0 deg-C

Boiling Point

437.2°C at 760 mmHg

Density

1.41

Flash Point

210.5℃

Refractive Index

1.57

Specific Rotation

+62°, c = 1 in ethyl acetate

SMILES

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FC1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c3ccccc3)OC1=O

InChI

InChI=1S/C19H14F2O6/c20-19(21)15(27-17(23)13-9-5-2-6-10-13)14(26-18(19)24)11-25-16(22)12-7-3-1-4-8-12/h1-10,14-15H,11H2/t14-,15-/m1/s1

InChIKey

SHHNEUNVMZNOID-HUUCEWRRSA-N

LogP

2.6297000000000006

Topological Polar Surface Area

78.9 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Sensitiveness

对热敏感

Synonyms & References

English

((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid gamma-lactone 3,5-dibenzoate
2-Deoxy-2,2-difuoro-D-Ribofuranofuranose-3,5-dibenzoate
3,5-Di-O-benzoyl-2-deoxy-2,2-difluoro-D-erythropentane-1,4-lactone
Intermediate of Capecitabine
capecitabine intermediate
2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate
2-Deoxy-2,2-difluoropentofuranos-1-ulose-3,5-dibenzoate
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid γ-Lactone 3,5-dibenzoate
2-Deox-2,2-difluoro-D-erythro pentonicacid gammalactone 3,5-dibenzoate
2-Deoxy-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate
2-Deoxy-2,2-difluoro-D-erythro-pentonic Acid β-Lactone 3,5-Dibenzoate
2-Deoxyl-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate
2-Doexy-2,2-difluoro-D-Erythro-pentofuranous-1-ulose-3,5-dibenzoate
4,4-difluoro-2-((3-fluorobenzoyloxy)methyl)-5-(methylsulfonyloxy)tetrahydrofuran-3-yl 3-fluorobenzoate
[(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate
2-Deoxy-2,2-difluoro-<small>D<
i>-pentonic Acid γ-Lactone 3,5-Dibenzoate
small>-<i>erythro<
2-deoxy-2,2-difluoro-d-erythro-pentafuranous-1-ulose-
(2R,3R)-4,4-Difluor-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-ylbenzolcarboxylat (non-preferred name)
(2R,3R)-4,4-Difluoro-5-oxo-2-{[(phenylcarbonyl)oxy]methyl}tetrahydrofuran-3-yl benzoate (non-preferred name)
[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate
[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (non-preferred name)
[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate
[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl]methyl benzoate (non-preferred name)
2-Deoxy-2,2-difluoro-D-erythro-pentonic acid g-lactone 3,5-dibenzoate
Gemcitabine (T6-F)
D-erythro-Pentonic acid
GEMCITABINE INTERMEDIATE
GeMcitabine InterMediate 6

MDL Number

MFCD08458308

Customs Code

2934999090

FAQ

What is [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7)?

[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) is an organic compound with the chemical formula C14H12F2O3. It features a benzoyloxy group, a tetrahydrofuran ring with stereochemistry (2R,3R), and fluorine substitutions. The compound is known for its stability and is commonly used in pharmaceutical and research applications due to its complex structure and functional groups.

What are the main uses of [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7)?

[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) is primarily used in pharmaceutical research as a potential drug candidate and in organic synthesis as an intermediate. Its unique structure makes it valuable for developing compounds with specific biological activities. It may also find applications in chemical research related to fluorinated heterocyclic derivatives.

Is [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) safe?

The safety of [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) depends on exposure conditions. While specific toxicity data may not be widely published, general precautions include wearing protective gloves, goggles, and lab coats. It should be handled in a well-ventilated area, following standard chemical safety protocols to minimize risks.

How should [(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) be stored?

[(2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydro-2-furanyl]methyl benzoate (CAS: 122111-01-7) should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It requires airtight containers made of glass or HDPE to prevent moisture ingress and degradation. Avoid exposure to light and incompatible substances to ensure stability and safety.