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

Basic Information

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CAS Number

30992-29-1

Molecular Formula

C9H17NO4

Molecular Weight

203.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

118.0 to 122.0 deg-C

Boiling Point

327.6°C at 760 mmHg

Flash Point

151.9±23.2 °C

Refractive Index

1.4315 (estimate)

SMILES

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

InChI

InChI=1S/C9H17NO4/c1-8(2,3)14-7(13)10-9(4,5)6(11)12/h1-5H3,(H,10,13)(H,11,12)

InChIKey

MFNXWZGIFWJHMI-UHFFFAOYSA-N

LogP

1.3743

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

240

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

30992-29-1
N-([(1,1-dimethylethyl)oxy]carbonyl}-2-methylalanine
t-butoxycarbonyl-alpha-methylalanine
alpha-(Boc-amino)isobutyric acid
N-{[(1,1-dimethylethyl)oxy]carbonyl}2-methylalanine
F11293
EN300-53415
N2-{[(1,1-Dimethylethyl)oxy]carbonyl}-2-methylalanine
N-Boc-alpha-methylalanine
2-tertbutoxycarbonylamino-2-methyl-propionic acid
SCHEMBL76832
2-((tert-butoxycarbonyl)amino)-2-methylpropanoic acid
N-(tert-butoxy carbonyl)-2-methyl alanine
B3323
N-Boc-aminoisobutyric acid
2-t-Butoxycarbonylamino-2-methylpropionic acid
N-(t-butoxycarbonyl)-alpha-methylalanine
J-300333
MFCD00042973
BCP14271
N-{[(1,1-dimethylethyl)oxy]carbonyl}-2-methylalanine
2-(tert-butoxycarbonylamino) -2-methyl-propanoic acid
Boc-2-Aminoisobutyric acid
F2108-0194
AM82454
2-(tert-BUTOXYCARBONYLAMINO) ISOBUTYRIC ACID
N-alpha-t-Butyloxycarbonyl-2-amino-isobutyric acid
Boc-Aib
CS-W007766
PD196501
DTXSID40184979

MDL Number

MFCD00042973

Customs Code

29241990

FAQ

What is 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1)?

2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1) is a protected amino acid derivative used in organic synthesis. It features a tert-butyl ester group attached to an alanine backbone with a methyl substitution. The compound is typically a white solid with moderate solubility in polar solvents. Its structure makes it suitable for peptide and pharmaceutical applications, offering stability during chemical reactions.

What are the main uses of 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1)?

This compound is primarily used as an intermediate in pharmaceutical and biochemical research. It plays a key role in synthesizing peptides, proteins, and drug molecules due to its protected ester functionality. Applications include the development of therapeutic agents, enzyme inhibitors, and other organic compounds. Its utility also extends to industrial chemical manufacturing and academic studies on amino acid derivatives.

Is 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1) safe?

2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1) is generally considered safe when handled properly. However, it may irritate skin or eyes, so protective gloves, goggles, and ventilation are recommended. Safety standards emphasize avoiding inhalation of dust and following guidelines from chemical safety data sheets (SDS). Always use appropriate personal protective equipment (PPE) during handling.

How should 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1) be stored?

Store 2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanine (CAS: 30992-29-1) in a cool, dry place away from light. Maintain temperature between 2-8°C and ensure humidity is controlled to prevent degradation. Use airtight, moisture-proof containers, preferably glass or high-density polyethylene (HDPE), to preserve stability. Avoid exposure to air and incompatible substances during storage.