(2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid

Basic Information

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CAS Number

3479-47-8

Molecular Formula

C19H19NO6

Molecular Weight

357.36 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

108.0 to 112.0 deg-C

Boiling Point

587.4 °C at 760 mmHg

Density

1.2930

Water Solubility

Insoluble in water.

Flash Point

309.1 °C

Refractive Index

1.581

SMILES

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C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H19NO6/c21-17(25-12-14-7-3-1-4-8-14)11-16(18(22)23)20-19(24)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,22,23)/t16-/m0/s1

InChIKey

VUKCNAATVIWRTF-INIZCTEOSA-N

LogP

2.4995000000000003

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

469

Synonyms & References

English

EN300-7358401
(2S)-4-(BENZYLOXY)-2-{[(BENZYLOXY)CARBONYL]AMINO}-4-OXOBUTANOIC ACID
DTXSID60188333
N-Carbobenzoxy-L-aspartic Acid 4-Benzyl Ester
(S)-4-(Benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoic acid
Cbz-L-aspartic acid b-benzyl ester
HY-30231
CS-0000174
4-Benzyl N-Cbz-L-aspartate
Z-Asp(OBzl)-OH
VUKCNAATVIWRTF-INIZCTEOSA-N
Cbz-L-aspartic acid -beta benzyl ester
M06226
MFCD00037820
AKOS015924111
NSC 118536
Z-Asp(OBzl)-OH, >=98.0%
4-Benzyl N-Carbobenzoxy-L-aspartate
EINECS 222-456-1
3479-47-8
Z-D-Aspartic acid beta-benzyl ester
NSC 163521
N-carbobenzoxy-4-O-benzyl-L-aspartic acid
N-Cbz-L-aspartic Acid 4-Benzyl Ester
NS00029731
Z-Asp(OBzl)
B3903
(2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
4-Benzyl hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate
DS-13957
N-Benzyloxycarbonyl-L-Aspartic Acid 4-Benzyl Ester

MDL Number

MFCD00037820

Customs Code

2924299090

FAQ

What are the physical and chemical properties of (2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8)?

(2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8) is a crystalline solid with a molecular weight of approximately 353.39 g/mol. It has a low solubility in water but is soluble in organic solvents. This compound is reactive and undergoes hydrolysis under basic conditions. It is stable under acidic conditions but requires careful handling to avoid degradation.

How is (2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8) typically synthesized?

(2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8) is typically synthesized via the coupling of an amino acid with a benzyl alcohol derivative under mild conditions. The reaction is catalyzed by a suitable coupling agent such as HATU or EDC. The yield can be up to 80%, and the reaction is selective, ensuring the desired product is formed.

What industries use (2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8)?

(2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8) is primarily used in the pharmaceutical industry for the development of drug intermediates. It is also used in the polymer industry as a monomer for the synthesis of functional polymers. Additionally, it has applications in the sensor and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling (2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8)?

When handling (2S)-4-(Benzyloxy)-2-{[(benzyloxy)carbonyl]amino}-4-oxobutanoic acid (CAS: 3479-47-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure to air. In case of a spill, it should be cleaned up with care, and the area should be decontaminated. Always consult the Safety Data Sheet (SDS) for additional safety information.