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

Basic Information

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CAS Number

15761-38-3

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

Melting Point

79-83 °C

Boiling Point

320.9°C at 760 mmHg

Flash Point

147.9℃

Refractive Index

-25.5 ° (C=2, AcOH)

Specific Rotation

-26 º (c=2, acetic acid)

SMILES

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C[C@H](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)/t5-/m0/s1

InChIKey

QVHJQCGUWFKTSE-YFKPBYRVSA-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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Boc-L-alanine
N-(tert-Butoxycarbonyl)-L-alanine
N-α-t-Boc-L-alanine
BOC-ALA
BOC-ALANINE
BOC-ALA-OH
H-ALPHA-T-BOC-L-ALANINE
L-ALANINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-
T-BUTYLOXYCARBONYL-L-ALANINE
TBOC-L-ALANINE
N-BOC-L-ALANINE
N-ALPHA-TERT-BUTYLOXYCARBONYL-L-ALANINE
N-ALPHA-T-BUTYLOXYCARBONYL-L-ALANINE
N-T-BOC-L-ALANINE
Boc-L-Ala-OH
(S)-2-((tert-Butoxycarbonyl)amino)propanoic acid
(S)-2-(tert-butoxycarbonylamino)propanoic acid
2-((tert-Butoxycarbonyl)amino)propanoic acid
BOC-L-Ala
N-Alpha-t-Boc-L-alanine
N-tert-Boc-L-alanine
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Boc-SS-Ala-OH
N-tert-Butoxycarbonyl-L-alanine
N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine
GL BIOCHEM
(2S)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
(tert-Butoxycarbonyl)alanine
(tert-Butoxycarbonyl)-l-alanine
VBSZA1BT4G
alanine, N-[(1,1-dimethylethoxy)carbonyl]-

MDL Number

MFCD00037225

Customs Code

2924199090

FAQ

What is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 15761-38-3)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine is a synthetic amino acid derivative with the chemical formula C10H19NO4. It features a tert-butoxycarbonyl (t-Boc) group attached to the nitrogen of L-alanine, making it a key intermediate in organic synthesis. This compound is commonly used in pharmaceutical research due to its stability and reactivity in peptide chemistry. Its molecular weight is 205.26 g/mol, and it is typically a white solid with moderate solubility in polar solvents.

What are the main uses of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 15761-38-3)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine is primarily used as a building block in the synthesis of peptides and proteins, particularly in pharmaceutical development. It serves as a protected amino acid derivative, enabling controlled deprotection during complex molecule assembly. Applications include drug design, enzyme inhibition studies, and research in biochemistry. Its t-Boc group also makes it valuable in creating chiral compounds for medicinal chemistry.

Is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 15761-38-3) safe?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine is generally considered safe when handled according to standard laboratory protocols. However, as a chemical reagent, it requires precautions such as wearing gloves, goggles, and a lab coat to avoid skin or respiratory contact. It is not classified as hazardous under normal conditions, but proper ventilation and adherence to safety data sheets (SDS) are recommended. Always follow established safety standards for chemical handling.

How should N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 15761-38-3) be stored?

This compound should be stored in a cool, dry place, away from light, in a sealed, airtight container. It is typically stable at room temperature (20-25°C) but may degrade if exposed to moisture or high humidity. For long-term storage, maintain temperatures below 25°C and use desiccants to prevent hydrolysis. Avoid contact with incompatible materials and store in a well-ventilated area as per safety guidelines.