2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate

Basic Information

View in Editor

CAS Number

174360-08-8

Molecular Formula

C8H17NO2S

Molecular Weight

191.3 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)NCCSC

InChI

InChI=1S/C8H17NO2S/c1-8(2,3)11-7(10)9-5-6-12-4/h5-6H2,1-4H3,(H,9,10)

InChIKey

WOTZPSAMFDSYKM-UHFFFAOYSA-N

LogP

1.8740999999999999

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

143

Synonyms & References

English

[2-Methanesulfanylethyl]carbamic acid tert-butyl ester
Carbamic acid, [2-(methylthio)ethyl]-, 1,1-dimethylethyl ester
Carbamic acid, [2-(methylthio)ethyl]-, 1,1-dimethylethyl ester (9CI)
N-Boc-2-(methylthio)ethylamine
Tert-Butyl (2-(methylthio)ethyl)carbamate
tert-butyl N-(2-methylsulfanylethyl)carbamate
KSC972M4D
WOTZPSAMFDSYKM-UHFFFAOYSA-N
tert-butyl 2-(methylthio)ethylcarbamate
t-Butyl 2-[(methylthio)]ethylcarbamate
(polystyrene-N-Boc-aminoethyl methyl thiol)
tert-butyl

MDL Number

MFCD21105444

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8)?

2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8) is a colorless to light yellow liquid with a molecular weight of approximately 204.29 g/mol. It has a mild solubility in water but is more soluble in organic solvents. Chemically, it is relatively stable but can undergo hydrolysis. It is a weak base and has a pKa of approximately 8.5.

How is 2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8) typically synthesized?

2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate is typically synthesized by reacting methyl isothiocyanate with 2-methyl-2-propanol. The reaction proceeds via a nucleophilic substitution mechanism. Commonly used solvents include toluene or dichloromethane. This method yields a high purity product with good selectivity and a yield of about 85-90%.

What industries use 2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8)?

2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8) is primarily used in the pharmaceutical industry for the synthesis of certain drugs, and also in the polymer industry for the modification of polymers to improve their performance. It is also used in the sensor industry for chemical sensing applications and in semiconductors for specific chemical treatments.

What precautions should be taken when handling 2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8)?

When handling 2-Methyl-2-propanyl [2-(methylsulfanyl)ethyl]carbamate (CAS: 174360-08-8), wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize inhalation risks. Spill clean-up should be done carefully, and the area should be washed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.