Allyl tert-Butyl Carbonate

Basic Information

View in Editor

CAS Number

70122-89-3

Molecular Formula

C8H14O3

Molecular Weight

158.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

View in Editor

CC(C)(C)OC(=O)OCC=C

InChI

InChI=1S/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3

InChIKey

SWQDRYKDDGFPLL-UHFFFAOYSA-N

LogP

2.12410

Complexity

144

Synonyms & References

English

Allyl-t-butylcarbonate
AKOS006295635
carbonic acid allyl ester tert-butyl ester
DTXSID30458257
70122-89-3
ALLYL TERT-BUTYL CARBONATE
tert-butyl prop-2-enyl carbonate
tert-butyl prop-2-en-1-yl carbonate
allyl t-butylcarbonate
GS-5487
SWQDRYKDDGFPLL-UHFFFAOYSA-N
FT-0641266
SCHEMBL372321
MFCD06658296
AB1026
CS-0211139
ALLYL FORMIC ACID-TERT-BUTYL ESTER
Allyl tert-butyl carbonate
ally tert-butyl carbonate
BocOCH2CHCH2
tert-butyl allyl carbonate

MDL Number

MFCD06658296

FAQ

What are the physical and chemical properties of Allyl tert-Butyl Carbonate (CAS: 70122-89-3)?

Allyl tert-Butyl Carbonate (CAS: 70122-89-3) is a colorless liquid with a characteristic odor. It has a molecular weight of approximately 176.26 g/mol. This compound is soluble in organic solvents like methanol and acetone but has limited water solubility. It is relatively stable under normal conditions but reacts with strong acids and bases. It is used as a precursor in organic synthesis due to its reactivity with nucleophiles.

How is Allyl tert-Butyl Carbonate (CAS: 70122-89-3) typically synthesized?

Allyl tert-Butyl Carbonate (CAS: 70122-89-3) is typically synthesized by the reaction of tert-butyl chloride with allyl alcohol in the presence of a base such as sodium hydride. The reaction proceeds with high selectivity and good yield. This method allows for the formation of the carbonate ester with high purity and efficiency.

What industries use Allyl tert-Butyl Carbonate (CAS: 70122-89-3)?

Allyl tert-Butyl Carbonate (CAS: 70122-89-3) is used in various industries. It is a key intermediate in the synthesis of pharmaceuticals, where it can serve as a starting material. In the polymer industry, it is used as a cross-linking agent. Additionally, it finds application in the production of sensors and semiconductors due to its reactivity and chemical properties.

What precautions should be taken when handling Allyl tert-Butyl Carbonate (CAS: 70122-89-3)?

When handling Allyl tert-Butyl Carbonate (CAS: 70122-89-3), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and protective clothing. Work in a well-ventilated area or a fume hood to minimize inhalation risks. In case of a spill, clean it up using appropriate absorbents and dispose of them properly. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.