2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate

Basic Information

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CAS Number

79069-50-4

Molecular Formula

C8H15NO3

Molecular Weight

173.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

87.0 to 91.0 deg-C

Boiling Point

248.5℃ at 760 mmHg

Density

1.015

Flash Point

248.5 °C at 760 mmHg

Refractive Index

1.435

SMILES

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CC(C=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)/t6-/m0/s1

InChIKey

OEQRZPWMXXJEKU-LURJTMIESA-N

LogP

1.0985

Topological Polar Surface Area

55.4 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

172

Safety Information

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Sensitiveness

对空气敏感

Synonyms & References

English

B6073
tert-butyl[(1S)-1-methyl-2-oxoethyl]carbamate
CHEMBL94727
DTXSID90426755
Boc-L-alanine Merrifield resin Mesh Size 100-200 Substitution 0.8 meq/g 1% DVB
Carbamicacid,N-[(1S)-1-methyl-2-oxoethyl]-,1,1-dimethylethylester
tert-butyl N-[(2S)-1-oxopropan-2-yl]carbamate
N-(t-butoxycarbonyl)-l-alaninal
N-(tert -butyloxycarbonyl)-L-alaninal
Z1198151194
79069-50-4
BDBM50137807
Boc-Ala-Aldehyde
Boc-L-alaninal
OEQRZPWMXXJEKU-LURJTMIESA-N
(S)-tert-butyl(1-oxopropan-2-yl)carbamate
MFCD00143786
(S)-tert-butyl 1-oxopropan-2-ylcarbamate
(S)-(1-METHYL-2-OXO-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
Boc-L-alanine aldehyde
((S)-1-Methyl-2-oxo-ethyl)-carbamic acid tert-butyl ester
CS-W008290
(S)-tert-Butyl (1-oxopropan-2-yl)carbamate
(S)-t-butyl 1-oxopropan-2-yl carbamate
Boc-L-Ala-PAM resin (100-200 mesh)
tert-butyl [(1S)-1-methyl-2-oxoethyl]carbamate
TS-7035
EN300-156991
SCHEMBL327825
Carbamic acid, [(1S)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester
2-(s)-[n-(tert-butoxycarbonyl)amino]propanal

MDL Number

MFCD00143786

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4)?

2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4) is a crystalline solid with a molecular weight of approximately 130.21 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but reacts readily with basic compounds. It has a pKa of about 20, indicating it is a weak base.

How is 2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4) typically synthesized?

2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate is typically synthesized via the reaction of 2-methyl-2-propanol with carbonyl diimidazole (CDI) in the presence of a catalyst like N,N-dimethylformamide (DMF). The reaction provides a high yield and good selectivity, making it a suitable method for industrial production.

What industries use 2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4)?

2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4) is primarily used in the pharmaceutical industry for the synthesis of various drug molecules. It also finds applications in the polymer industry as a stabilizer and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4)?

When handling 2-Methyl-2-propanyl [(2S)-1-oxo-2-propanyl]carbamate (CAS: 79069-50-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures.