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

Basic Information

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CAS Number

7764-95-6

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

82.0 to 85.0 deg-C

Boiling Point

320.9°C at 760 mmHg

Density

1.2321 (rough estimate)

Flash Point

147.9℃

Refractive Index

26 ° (C=2, AcOH)

Specific Rotation

26 º (c=2,EtOH)

SMILES

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C[C@H](C(=O)O)NC(=O)OC(C)(C)C

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-/m1/s1

InChIKey

QVHJQCGUWFKTSE-RXMQYKEDSA-N

LogP

0.9841999999999997

Topological Polar Surface Area

75.63000000000001 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-D-Alanine
N-tert-Butoxycarbonyl-D-alanine
N-Boc-D-alanine
Boc-D-Ala-OH
N-(tert-Butoxycarbonyl)-D-alanine
N-(T-BUTOXYCARBONYL)-D-ALANINE
N-Alpha-t-Boc-D-alanine
N-tert-Boc-D-alanine
(R)-2-((tert-Butoxycarbonyl)amino)propanoic acid
(R)-2-(BOC-AMINO)PROPANOIC ACID
(R)-2-tert-butoxycarbonylamino-propionic acid
(R)-N-(tert-butoxycarbonyl)alanine
BOC-D-Ala
BocHN-DAla-OH
N-(tert-Butoxycarbonyl)alanine
N-(tert-butyloxycarbonyl)-D-alanine
N-Boc-L-alanine
N-t-BOC-D-alanine
N-tert-Butoxycarbonyl-(R)-2-aMinopropionic acid
(2R)-2-{[(tert-butoxy)carbonyl]amino}propanoic acid
QVHJQCGUWFKTSE-RXMQYKEDSA-N
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(R)-2-(TERT-BUTOXYCARBONYLAMINO)PROPANOIC ACID
D-ALANINE, N-[(1,1-DIMETHYLETHOXY)CARBONYL]-
N-alpha-t-B
BOC-D-Ala-OH

MDL Number

MFCD00063123

Customs Code

2924199090

FAQ

What is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 7764-95-6)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine is a synthetic amino acid derivative with the CAS number 7764-95-6. It contains a protected carboxyl group linked to a D-alanine residue and a tert-butyl group, making it useful in organic synthesis and pharmaceutical research. The compound is typically a white solid with moderate solubility in organic solvents and is used as an intermediate in the production of various bioactive molecules.

What are the main uses of N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 7764-95-6)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine is primarily used in pharmaceutical and biochemical research as a building block for synthesizing peptides and drug molecules. It also finds applications in the development of antibiotics, enzyme inhibitors, and other therapeutic agents. Additionally, it is used in organic chemistry for studying reaction mechanisms and functional group transformations.

Is N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 7764-95-6) safe?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine is generally considered safe when handled properly. However, it should be treated with care as it may irritate the skin and eyes. Protective gloves and goggles are recommended during handling. It is important to follow standard chemical safety protocols and ensure proper ventilation to minimize exposure risks.

How should N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine (CAS: 7764-95-6) be stored?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-alanine should be stored in a cool, dry, and well-ventilated area, away from light and moisture. It is best kept in a sealed container, preferably made of glass or high-density polyethylene, to maintain stability. Storage at temperatures below 25°C is recommended to prevent degradation and ensure long-term usability.