2-Methyl-2-propanyl (cyanomethyl)carbamate

Basic Information

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CAS Number

85363-04-8

Molecular Formula

C7H12N2O2

Molecular Weight

145.2 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

Basic Physical Properties

Melting Point

53-57 °C

Boiling Point

186 °C

Density

1.1832 (rough estimate)

Refractive Index

1.4880 (estimate)

SMILES

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CC(C)(C)OC(=O)NCC#N

InChI

InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)

InChIKey

SMZKPZXYDDZDJG-UHFFFAOYSA-N

LogP

1.531

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

184

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
2-(Boc-amino)acetonitrile
BOC-2-AMINOACETONITRILE (N-TERT-BUTOXYCARBONYL)-2-AMINOACETONITRILE)
N-Boc-2-aminoacetonitrile
tert-Butyl (cyanomethyl)carbamate
tert-butyl N-(cyanomethyl)carbamate
Carbamicacid, (cyanomethyl)-, 1,1-dimethylethyl ester (9CI)
(tert-Butoxycarbonylamino)acetonitrile
N-tert-Butoxycarbonylaminoacetonitrile
tert-Butyl cyanomethylcarbamate
N-Boc-aminoacetonitrile
Carbamic acid, (cyanomethyl)-, 1,1-dimethylethyl ester
SMZKPZXYDDZDJG-UHFFFAOYSA-N
Boc-Gly-Nitrile
zlchem 1061
(N-Boc-amino)acetonitrile
tert-Butyl cyanomethylcarbamate #
ZLD0527
N1N445
KM2316
(tert-butoxycarbonylamino)acetonitr

MDL Number

MFCD00239390

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (cyanomethyl)carbamate (CAS: 85363-04-8)?

2-Methyl-2-propanyl (cyanomethyl)carbamate is a colorless to slightly yellow liquid with a molecular weight of approximately 154.17 g/mol. Its solubility is soluble in ethanol and acetone but slightly soluble in water. It is reactive and prone to hydrolysis under acidic or basic conditions.

How is 2-Methyl-2-propanyl (cyanomethyl)carbamate (CAS: 85363-04-8) typically synthesized?

2-Methyl-2-propanyl (cyanomethyl)carbamate is typically synthesized by the reaction of 2-methyl-2-propanol with cyanogen chloride in the presence of a base such as sodium hydroxide. The process yields a high purity product with good selectivity and a yield of around 85%.

What industries use 2-Methyl-2-propanyl (cyanomethyl)carbamate (CAS: 85363-04-8)?

2-Methyl-2-propanyl (cyanomethyl)carbamate is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also utilized in the polymer industry for the modification of polymers to improve their properties. Additionally, it has applications in the semiconductor industry for the production of photoresists and other materials.

What precautions should be taken when handling 2-Methyl-2-propanyl (cyanomethyl)carbamate (CAS: 85363-04-8)?

Handling 2-Methyl-2-propanyl (cyanomethyl)carbamate requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbents. It should be stored in a cool, dry place away from heat and sources of ignition. Always refer to the Safety Data Sheet (SDS) for more detailed handling and storage information.