Di-tert-butyl carbonate

Basic Information

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CAS Number

34619-03-9

Molecular Formula

C9H18O3

Molecular Weight

174.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C9H18O3/c1-8(2,3)11-7(10)12-9(4,5)6/h1-6H3

InChIKey

ODCCJTMPMUFERV-UHFFFAOYSA-N

LogP

2.736600000000001

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

142

Synonyms & References

English

Carbonic acid, bis(1,1-dimethylethyl) ester
Carbonic acid, bis(1,1-dimethylethyl) ester
ditert-butyl carbonate
diterbutyl carbonate
Ditert-butyl Carbonate
(di-tert-butyl)carbonate
bis(1,1-dimethylethyl)carbonate
di-(tert-butyl)carbonate
di-tert-butylcarbonate
di-tertbutylcarbonate
di-tert.-butylcarbonate
ditertbutlycarbonate
34619-03-9
dit-butyl carbonate
di-tert butylcarbonate
ditertiarybutylcarbonate
Di-t-butyl carbonate
di t-butylcarbonate
ditertbutylcarbonate
CS-0146214
NS00083550
di-t butyl carbonate
di-tert-butyl-carbonate
AKOS017523543
MFCD14560560
SCHEMBL29121
di-tert-butyl carbonate
carbonic acid di-tert-butyl ester
di-(t-butyl)carbonate
DTXSID40436864
di-terbutyl carbonate

MDL Number

MFCD14560560

FAQ

What are the physical and chemical properties of Di-tert-butyl carbonate (CAS: 34619-03-9)?

Di-tert-butyl carbonate (CAS: 34619-03-9) is a colorless or light yellow liquid with a molecular weight of approximately 194.28 g/mol. It is highly soluble in water and organic solvents. Chemically, it is a strong nucleophile and ester, making it reactive in esterification and transesterification reactions.

How is Di-tert-butyl carbonate (CAS: 34619-03-9) typically synthesized?

Di-tert-butyl carbonate (CAS: 34619-03-9) is usually synthesized by reacting tert-butanol with phosgene in the presence of a base catalyst. The reaction is carried out under controlled conditions to achieve high yield and selectivity, with tert-butanol being the main reagent and phosgene serving as the carbonylating agent.

What industries use Di-tert-butyl carbonate (CAS: 34619-03-9)?

Di-tert-butyl carbonate (CAS: 34619-03-9) finds applications in various industries, including pharmaceuticals, where it is used as a protecting group, and in polymers, where it serves as a plasticizer. It is also utilized in the production of sensors and semiconductors due to its reactivity and solubility properties.

What precautions should be taken when handling Di-tert-butyl carbonate (CAS: 34619-03-9)?

When handling Di-tert-butyl carbonate (CAS: 34619-03-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be handled carefully, and the product should be stored in a dry, cool place, away from heat sources and incompatible materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.