2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate

Basic Information

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CAS Number

792913-83-8

Molecular Formula

C12H23NO3

Molecular Weight

229.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1(CCC(CC1)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-12(4)7-5-9(14)6-8-12/h9,14H,5-8H2,1-4H3,(H,13,15)

InChIKey

JJAVBBNDEUQQSR-UHFFFAOYSA-N

LogP

2.2047

Topological Polar Surface Area

58.56 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

250

Synonyms & References

English

DTXSID50667662
792913-83-8
tert-Butyl (4-hydroxy-1-methylcyclohexyl)carbamate
P13519
J-524826
AMY34308
AKOS025290292
tert-butyl (1r,4r)-4-hydroxy-1-methylcyclohexylcarbamate
PB38636
SB20633
CS-0049689
DTXSID401143332
AS-34691
PB33761
SCHEMBL15115795
SY099971
SCHEMBL1730719
EN300-7171175
412293-61-9
MFCD20040473
Carbamic acid, (cis-4-hydroxy-1-methylcyclohexyl)-, 1,1-dimethylethyl ester
cis-4-(Boc-amino)-4-methylcyclohexanol
trans-4-(Boc-amino)-4-methylcyclohexanol
JJAVBBNDEUQQSR-UHFFFAOYSA-N
P12690
tert-Butyl (cis-4-hydroxy-1-methylcyclohexyl)carbamate
tert-Butyl ((1R, 4R)-4-hydroxy-1-methylcyclohexyl)carbamate
EN300-5539972
tert-butyl N-(4-hydroxy-1-methylcyclohexyl)carbamate
AS-51781
AKOS015841527

MDL Number

MFCD20040473

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8)?

2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8) is a white crystalline solid with a molecular weight of approximately 228.3 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and acetone. The compound is moderately reactive, particularly with nucleophiles and bases. It has a pKa of around 7.0, indicating basicity.

How is 2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8) typically synthesized?

2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8) can be synthesized through a multistep process starting from 4-hydroxy-1-methylcyclohexanone and methoxyacetyl chloride. The reaction involves condensation followed by cyclization, with the use of a strong base like sodium hydride. The yield is typically around 75%, and the product is isolated by recrystallization from ethanol.

What industries use 2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8)?

2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for modifying the properties of polymers and in the sensor industry for the development of chemical sensors. Additionally, it can be used in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling 2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8)?

When handling 2-Methyl-2-propanyl (4-hydroxy-1-methylcyclohexyl)carbamate (CAS: 792913-83-8), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place, away from strong acids and bases. Fume hoods should be used during handling to minimize inhalation exposure. In case of a spill, it should be cleaned up using appropriate absorbent materials and the spill site should be thoroughly flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.