2-Methyl-2-propanyl (4-cyanobenzyl)carbamate

Basic Information

View in Editor

CAS Number

66389-80-8

Molecular Formula

C13H16N2O2

Molecular Weight

232.28 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

392.9 ℃ at 760 mmHg

Density

1.1

Flash Point

191.4 °C

SMILES

View in Editor

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3,(H,15,16)

InChIKey

NCGBJBDHEYDWEC-UHFFFAOYSA-N

LogP

2.97388

Complexity

303

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

CS-0068032
4-(Boc-aminomethyl)benzonitrile
DTXSID90445082
AS-35443
EN300-110005
tert-butyl (4-cyanobenzyl)carbamate
MFCD08436197
66389-80-8
TERT-BUTYL 4-CYANOBENZYLCARBAMATE
A867470
N-Boc-4-cyanobenzylamine
SCHEMBL3274015
(4-Cyano-benzyl)-carbamic acid tert-butyl ester
NCGBJBDHEYDWEC-UHFFFAOYSA-N
Tert-butyl N-[(4-cyanophenyl)methyl]carbamate
Z970097032
Carbamic acid,N-[(4-cyanophenyl)methyl]-,1,1-dimethylethyl ester
Carbamic acid, [(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
SY034774
4-BOC-AMINOMETHYL-BENZONITRILE
tert-butyl(4-cyanobenzyl)carbamate
AKOS011551719
tert-Butyl 4-cyanobenzylcarbamate
1-tert-butyl4-methyl 4-(prop-2-ynyl)piperidine-1,4-dicarboxylate
Carbamic acid,N-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
N-Boc-4-aminomethylbenzonitrile
tert-butyl N-[(4-cyanophenyl)methyl]carbamate
Boc-4-cyanobenzylamine
Boc-NH-CH2C6H4-4-CN
KM1012
7357AJ

MDL Number

MFCD08436197

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (4-cyanobenzyl)carbamate (CAS: 66389-80-8)?

2-Methyl-2-propanyl (4-cyanobenzyl)carbamate is a colorless to pale yellow liquid at room temperature. Its molecular weight is approximately 254.25 g/mol. The compound is slightly soluble in water but soluble in common organic solvents like methanol and ethanol. It is reactive towards nucleophiles and can undergo hydrolysis under basic conditions. This compound typically exhibits low volatility and has a melting point of -18°C and a boiling point of 155-157°C.

How is 2-Methyl-2-propanyl (4-cyanobenzyl)carbamate (CAS: 66389-80-8) typically synthesized?

2-Methyl-2-propanyl (4-cyanobenzyl)carbamate is usually synthesized through the reaction of 4-cyanobenzyl chlorides with 2-methyl-2-propanol in the presence of a base like triethylamine. The reaction typically proceeds with good yield and selectivity. The exact conditions, such as temperature and solvent, can vary depending on the specific starting materials and desired purity of the product.

What industries use 2-Methyl-2-propanyl (4-cyanobenzyl)carbamate (CAS: 66389-80-8)?

2-Methyl-2-propanyl (4-cyanobenzyl)carbamate is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It can also be found in the chemical industry for the production of intermediates and in the polymer industry for the modification of polymer properties. Additionally, it may have applications in the sensing and semiconductor industries as a functional material.

What precautions should be taken when handling 2-Methyl-2-propanyl (4-cyanobenzyl)carbamate (CAS: 66389-80-8)?

When handling 2-Methyl-2-propanyl (4-cyanobenzyl)carbamate, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound is reactive and can cause irritation to the eyes and skin. It should be handled in a well-ventilated area or under a fume hood. Spills should be cleaned up using absorbent materials and disposed of in accordance with local regulations. It is advisable to refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.