[(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate

Basic Information

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CAS Number

106268-96-6

Molecular Formula

C11H11NO5

Molecular Weight

237.21 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

Basic Physical Properties

Melting Point

87-89 °C

Boiling Point

379.74°C (rough estimate)

Flash Point

178.3°C

Refractive Index

1.5300 (estimate)

SMILES

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CC1(CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-11(7-17-11)6-16-10(13)8-2-4-9(5-3-8)12(14)15/h2-5H,6-7H2,1H3/t11-/m0/s1

InChIKey

PUBTVFBOTFDPTA-NSHDSACASA-N

LogP

2.06370

Complexity

318

Safety Information

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Hazard Statement

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

(R)-(2-Methyloxiran-2-yl)methyl 4-nitrobenzoate
SCHEMBL3903585
MFCD00012315
(R)-(2-Methyloxiran-2-yl)methyl4-nitrobenzoate
AS-81133
PUBTVFBOTFDPTA-NSHDSACASA-N
(2R)-(-)-2-Methylglycidyl 4-nitrobenzoate, 98%
CS-W009304
AKOS027320363
J-001560
(2R)-(-)-2-Methylglycidyl 4-nitrobenzoate
106268-96-6
(2R)-(-)-2-METHYLGLYCIDYL4-NITROBENZOATE
(R)-(-)-2-Methylglycidyl 4-Nitrobenzoate
[(2R)-2-methyloxiran-2-yl]methyl 4-nitrobenzoate
(R)-2-methyloxiran-2-ylmethyl 4-nitrobenzoate
2-Oxiranemethanol,2-methyl-, 2-(4-nitrobenzoate), (2R)-
(2R)-(-)-2-METHYLGLYCIDYL 4-NITROBENZOATE
(2R)-(?)-2-Methylglycidyl 4-nitrobenzoate
(2R)-(-)-2-methylglycidyl-4-nitrobenzoate
(2R)-methyl-3-[4-nitrobenzoyl(oxy)]-1,2-epoxy-propane
(R)-2-Methylglycidol 4-nitrobenzoate ester
(R)-2-methylglycidyl 4-nitrobenzoate
(R)-2-methyloxiranemethanol 4-nitrobenzoate
305758_ALDRICH
CTK8E9818
FT-0642613
I14-45514
2-methylglycidyl 4-nitrobenzoate
3-methyl-,4-nitrobenzoate,(r)-oxiranemethano
2,3-EPOXY-2-METHYLPROPYLESTER-4-NITROBENZOATE

MDL Number

MFCD00012315

FAQ

What are the physical and chemical properties of [(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6)?

[(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6) is a white crystalline solid with a molecular weight of approximately 258.12 g/mol. It has a melting point of 99-101°C and is soluble in chloroform, methanol, and acetonitrile but less so in water. This compound is known for its reactivity in nucleophilic substitution reactions and can undergo electrophilic aromatic substitution due to the nitro group.

How is [(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6) typically synthesized?

[(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6) can be synthesized via a multi-step process. First, 4-nitrobenzoic acid is reacted with (2R)-2-methyl oxirane in the presence of a base such as sodium hydride. This step forms a salt intermediate, which is then treated with methyl chloroformate to obtain the ester. The overall process is selective and yields a product with a purity of over 98%.

What industries use [(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6)?

[(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in the synthesis of various pharmaceuticals, particularly those requiring a nitro group for further functionalization. In polymers, it can be used as an intermediate for the development of new materials with specific properties.

What precautions should be taken when handling [(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6)?

When handling [(2R)-2-Methyl-2-oxiranyl]methyl 4-nitrobenzoate (CAS: 106268-96-6), it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood. Spills should be cleaned up using absorbent materials, and the area should be flushed with water. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.