2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate

Basic Information

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CAS Number

675112-67-1

Molecular Formula

C11H19F2NO2

Molecular Weight

235.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Basic Physical Properties

Boiling Point

293.2±40.0℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)NC1CCC(CC1)(F)F

InChI

InChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15)

InChIKey

OWELBZTXHNMEKC-UHFFFAOYSA-N

LogP

3.0890000000000013

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

251

Synonyms & References

English

SCHEMBL360739
MFCD07781263
C11H19F2NO2
675112-67-1
N-t-BOC-4,4-Difluorocyclohexanamine
tert-butyl 4,4-difluorocyclo-hexylcarbamate
DS-15774
(4,4-Difluoro-cyclohexyl)carbamic acid tert-butyl ester
1-(Boc-amino)-4,4-difluorocyclohexane
tert-butyl N-(4,4-difluorocyclohexyl)carbamate
tert-Butyl (4,4-difluorocyclohexyl)carbamate
AKOS016002118
EN300-329656
(4, 4-Difluoro-cyclohexyl)-carbamic acid tert-butyl ester
(4,4-difluoro-cyclohexyl)-carbamic acid tert-butyl ester
n-(4,4-difluorocyclohexyl)(t-butoxy)carboxamide
SY038536
tert-Butyl 4,4-difluorocyclohexylcarbamate
A915829
1,1-Dimethylethyl (4,4-difluorocyclohexyl)carbamate
DTXSID70623245
AMY30141
N-T-BOC-4,4-DIFLUOROCYCLOHEXYLAMINE
AB10740
N-Boc-4-amino-1,1-difluorocyclohexane
n-t-boc-4,4-difluorocyclohexylamine
(4,4-Difluoro-cyclohexyl)-carbamic acid tert-butyl ester

MDL Number

MFCD07781263

Customs Code

2924299090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1)?

2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1) is a colorless or white crystalline solid with a molecular weight of approximately 281.2 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethyl acetate. The compound is relatively stable but can react with strong bases. It is classified as a carbamate compound, which makes it susceptible to hydrolysis under basic conditions.

How is 2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1) typically synthesized?

2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1) can be synthesized via the reaction of 2-methyl-2-propanol with 4,4-difluorocyclohexanoyl chloride. The reaction typically proceeds in the presence of a base like triethylamine to enhance the nucleophilicity of the alcohol. The process yields a high purity product with good selectivity and a yield of up to 90%.

What industries use 2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1)?

2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of other active pharmaceutical ingredients. Its chemical structure makes it suitable for use in polymer chemistry and as a reagent in various organic synthesis processes for the development of new materials and sensors.

What precautions should be taken when handling 2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1)?

When handling 2-Methyl-2-propanyl (4,4-difluorocyclohexyl)carbamate (CAS: 675112-67-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spill, ensure the area is well ventilated and avoid inhaling the fumes. Always refer to the safety data sheet (SDS) for detailed handling and disposal guidelines.