3-Oxetanyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

26272-83-3

Molecular Formula

C10H12O4S

Molecular Weight

228.27 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

Basic Physical Properties

Melting Point

81.0 to 86.0 deg-C

Boiling Point

371.6±35.0°C at 760 mmHg

Flash Point

179°(354°F)(lit.)

Refractive Index

1.568

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OC2COC2

InChI

InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3

InChIKey

UMFWNFVHKAJOSE-UHFFFAOYSA-N

LogP

1.09912

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

294

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

Sensitiveness

对空气敏感

Synonyms & References

English

Oxetan-3-yl 4-methylbenzenesulfonate
Oxetan-3-yl4-methylbenzenesulfonate
FT-0649481
26272-83-3
3-(tosyloxy)oxetane
Z1509734634
A818354
3-OXETANOL, 3-(4-METHYLBENZENESULFONATE)
Oxetan-3-yl 4-methylbenzenesulfonate;3-Oxetanyl tosylate
3-Tosyloxyoxetane
CS1299
oxetan-3-yl 4-methylbenzene-1-sulfonate
SY025444
J-523854
SCHEMBL181141
oxetan-3-yl 4-methyl-benzenesulfonate
PB16036
Oxetan-3-yl-4-methylbenzenesulfonate
3-OXETANYL P-TOLUENESULFONATE
AM20020025
O0473
GS-5626
UMFWNFVHKAJOSE-UHFFFAOYSA-N
MFCD08544401
TOLUENE-4-SULFONIC ACID OXETAN-3-YL ESTER
EN300-179877
P-TOLUENESULFONIC ACID 3-OXETANYL ESTER
DTXSID00522636
3-Oxetanyl tosylate
AKOS015842519
CS-0037430

MDL Number

MFCD08544401

FAQ

What are the physical and chemical properties of 3-Oxetanyl 4-methylbenzenesulfonate (CAS: 26272-83-3)?

3-Oxetanyl 4-methylbenzenesulfonate is a crystalline compound with a molecular weight of approximately 241.19 g/mol. It has a solubility of about 2.5 g/L in water at 25°C. Chemically, it is relatively unreactive but can undergo sulfonate displacement reactions. It has a melting point of around 148-150°C.

How is 3-Oxetanyl 4-methylbenzenesulfonate (CAS: 26272-83-3) typically synthesized?

3-Oxetanyl 4-methylbenzenesulfonate is typically synthesized by the reaction of 4-methylbenzenesulfonyl chloride with 3-oxetanol. The reaction is usually conducted in the presence of a base such as pyridine to enhance the nucleophilicity of 3-oxetanol. The yield is typically around 75-80%, and the product is isolated via recrystallization.

What industries use 3-Oxetanyl 4-methylbenzenesulfonate (CAS: 26272-83-3)?

3-Oxetanyl 4-methylbenzenesulfonate is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those that require specific functional groups. It is also utilized in the polymer industry for modifying the properties of polymers, and in the sensor industry for developing chemically sensitive materials.

What precautions should be taken when handling 3-Oxetanyl 4-methylbenzenesulfonate (CAS: 26272-83-3)?

When handling 3-Oxetanyl 4-methylbenzenesulfonate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled in a fume hood, and the Safety Data Sheet (SDS) should be consulted for further guidance.