2-Methyl-2-propanyl (2-fluorophenyl)carbamate

Basic Information

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CAS Number

98968-72-0

Molecular Formula

C11H14FNO2

Molecular Weight

211.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC1=CC=CC=C1F

InChI

InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)

InChIKey

AUHNQFOFWVWFTH-UHFFFAOYSA-N

LogP

3.1727000000000016

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

225

Synonyms & References

English

MFCD04112559
SCHEMBL661640
CS-0197539
N-BOC-2-FLUOROANILINE
tert-Butyl (2-fluorophenyl)carbamate
AM87512
DTXSID70406858
Carbamic acid, (2-fluorophenyl)-, 1,1-dimethylethyl ester
N-TERT-BUTOXYCARBONYL-2-FLUOROANILINE
(2-fluoro-phenyl)-carbamic acid tert-butyl ester
N-(t-butoxycarbonyl)-2-fluoroaniline
tert-butyl N-(2-fluorophenyl)carbamate
BS-33441
tert-Butyl(2-fluorophenyl)carbamate
A858504
98968-72-0
AKOS003029072
AUHNQFOFWVWFTH-UHFFFAOYSA-N
N-t-butoxycarbonyl-2-fluoroaniline
TERT-BUTYL 2-FLUOROPHENYLCARBAMATE
N10161
Carbamic acid,N-(2-fluorophenyl)-, 1,1-dimethylethyl ester
tert-Butyl 2-fluorophenylcarbamate

MDL Number

MFCD04112559

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0)?

2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0) is a crystalline solid with a molecular weight of approximately 231.18 g/mol. It has a low solubility in water but is moderately soluble in organic solvents such as ethanol and acetone. The compound is known for its high reactivity, particularly towards nucleophiles. It is stable under normal conditions but sensitive to strong bases and reducing agents.

How is 2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0) typically synthesized?

2-Methyl-2-propanyl (2-fluorophenyl)carbamate can be synthesized via the reaction of 2-fluoroaniline with 2-methyl-2-propanol in the presence of a suitable carbodiimide such as EDCl. The reaction typically proceeds with high selectivity and moderate yield, with careful control of reaction conditions to avoid side products.

What industries use 2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0)?

2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0) is primarily used in the pharmaceutical industry for the synthesis of various organic compounds, including certain drugs. It is also of interest in materials science for applications involving polymers and sensors, due to its chemical functionality and reactivity.

What precautions should be taken when handling 2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0)?

When handling 2-Methyl-2-propanyl (2-fluorophenyl)carbamate (CAS: 98968-72-0), it is essential to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or within a fume hood. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.