(3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid

Basic Information

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CAS Number

7362-93-8

Molecular Formula

C11H13NO4

Molecular Weight

223.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

176 °C

Density

1.2830

Solubility

Soluble in HCI solution.

Refractive Index

-14 ° (C=1, 0.1mol/L HCl)

SMILES

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C1=CC=C(C=C1)COC(=O)C(CC(=O)O)N

InChI

InChI=1S/C11H13NO4/c12-9(6-10(13)14)11(15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1

InChIKey

NJSRYBIBUXBNSW-VIFPVBQESA-N

LogP

0.5317999999999996

Topological Polar Surface Area

89.62000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

248

Synonyms & References

English

Aspartic acid 1-benzyl ester
HY-42066
L-Aspartic acid benzyl ester
(S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid
AKOS015889981
H10862
CS-M3635
H-Asp-OBzl
AKOS015924122
M03014
DS-14381
(5)-3-amino-4-(benzyloxy)-4-oxobutanoic acid
L-Aspartic acid a-benzyl ester
A837879
SCHEMBL169622
MFCD00063186
1-Benzyl L-Aspartate
7362-93-8
EN300-149943
NJSRYBIBUXBNSW-VIFPVBQESA-N
B2994
(3S)-3-AMINO-4-(BENZYLOXY)-4-OXOBUTANOIC ACID
L-Aspartic Acid 1-Benzyl Ester
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoic acid
AM81595
H-ASP-OBZL
L-Aspartic acid 1-benzyl ester
H-L-Asp-OBzl
L-Aspartic acid α-benzyl ester
H-Asp-OBzl.HCl
H-ASP Obzl

MDL Number

MFCD00063186

Customs Code

2922509090

FAQ

What are the physical and chemical properties of (3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8)?

(3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8) is a solid at room temperature with a crystalline form. The molecular weight is approximately 256.25 g/mol. It is slightly soluble in water but soluble in polar organic solvents. The compound is relatively stable but can react with strong bases. It is also susceptible to hydrolysis under acidic or basic conditions.

How is (3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8) typically synthesized?

(3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8) is typically synthesized through a two-step process. First, benzyloxycarbonyl chloride reacts with 3-amino-4-oxobutanoic acid. Then, the resulting product undergoes reduction to form the final compound. Common catalysts include palladium-based catalysts, and the yield is generally around 75-85%. The reaction is selective and proceeds with good stereochemical control.

What industries use (3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8)?

(3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8) is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also applied in the polymer industry for the modification of polymer properties. Additionally, it has potential uses in the sensor and semiconductor industries due to its chemical reactivity and functional groups.

What precautions should be taken when handling (3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8)?

When handling (3S)-3-Amino-4-(benzyloxy)-4-oxobutanoic acid (CAS: 7362-93-8), it is important to wear appropriate personal protective equipment (PPE), such as gloves and safety goggles. Handle in a well-ventilated area or fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, use appropriate absorbent materials and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.