N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine

Basic Information

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CAS Number

3744-87-4

Molecular Formula

C8H15NO4

Molecular Weight

189.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

110.0 to 114.0 deg-C

Boiling Point

320.9℃ at 760 mmHg

SMILES

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

InChI

InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)

InChIKey

QVHJQCGUWFKTSE-UHFFFAOYSA-N

LogP

0.9842000000000002

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

207

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Boc-DL-Ala-OH
N-(tert-Butoxycarbonyl)-DL-alanine
2-((tert-Butoxycarbonyl)amino)propanoic acid
2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-DL-alanine
DL-N-Boc-alanine
N-Boc-DL-alanine
N-tert-Butoxycarbonyl-DL-alanine
N-(tert-Butoxycarbonyl)alanine
2-N-BOC-AMINO-PROPIONIC ACID
2-(tert-butoxycarbonylamino)propanoic acid
2-[(tert-butoxycarbonyl)amino]propanoic acid
2-tert-Butoxycarbonylamino-propionic acid
2-{[(tert-butoxy)carbonyl]amino}propanoic acid
2-([(tert-Butoxy)carbonyl]amino)propanoic acid
NSC108686
PubChem11985
Boc-DL-Ala-OH, AldrichCPR
tert-Butoxycarbon
tert-Butoxycarbonyl-DL-alanine

MDL Number

MFCD00063124

Customs Code

2924199090

FAQ

What are the physical and chemical properties of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4) is a white crystalline powder. Its molecular weight is approximately 262.37 g/mol. This compound has a slight solubility in water and is practically insoluble in organic solvents. It exhibits moderate acidity and can undergo condensation reactions with nucleophiles. It is stable under normal storage conditions but should be kept away from strong bases and oxidizing agents.

How is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4) typically synthesized?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4) is synthesized through a multistep process involving the protection of the carboxyl group of alanine, followed by the introduction of the 2-methyl-2-propanol moiety via an esterification reaction. Commonly, a catalyst such as HOBt (1-Hydroxybenzotriazole) is used to improve the reaction selectivity. The overall process yields a high purity product with good yield.

What industries use N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4) is primarily used in the pharmaceutical industry for the synthesis of certain peptides and prodrugs. It is also utilized in the polymer industry for the modification of polymer chains, and in the sensor industry for specific chemical and biological detection applications. Its use in semiconductors is less common but can be applied in some specialized areas.

What precautions should be taken when handling N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4)?

When handling N-{[(2-Methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 3744-87-4), it is essential to wear appropriate personal protective equipment (PPE), such as gloves and safety goggles. The substance should be handled in a well-ventilated area or a fume hood. In case of a spill, use absorbent material and dispose of the waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.