(4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate

Basic Information

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CAS Number

13030-09-6

Molecular Formula

C12H15NO4

Molecular Weight

237.26 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

Melting Point

157°C

Boiling Point

416℃ at 760 mmHg

Density

1.2450

Flash Point

205.4±27.3 °C

Refractive Index

1.555

Vapor Pressure

No data available

Specific Rotation

+10 to +12° (c=1, 1mol/L HCl)

SMILES

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

InChI

InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1

InChIKey

HFZKKJHBHCZXTQ-JTQLQIEISA-N

LogP

0.9218999999999997

Topological Polar Surface Area

89.62000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

261

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

Synonyms & References

English

H-Glu-OBzl
DS-2288
L-glutamic acid-mono-benzyl ester
1-Benzyl L-Glutamate
CS-W009487
MFCD00037312
L-Glutamic Acid 1-Benzyl Ester
H-L-Glu-OBzl
l-Glutamic acid, monobenzyl ester
(S)-4-Amino-5-(benzyloxy)-5-oxopentanoic acid
l-glutamic acid alpha-benzyl ester
B2996
SCHEMBL124387
L-Glutamic acid
AM20020382
AKOS015924090
AKOS015902939
g-(O-benzyl)-l-glutamic acid
A-benzyl ester
L-Glutamic acid a-benzyl ester
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
HY-W008771
13030-09-6
EN300-243773
glutamic acid benzylester
(4S)-4-amino-5-(benzyloxy)-5-oxopentanoic acid
4-Amino-5-(benzyloxy)-5-oxopentanoic acid #
Glu.OBzl
L-Glu-a-O-Bzl
H-Glu-Obzl
H-Glu-OBzl·HCl

MDL Number

MFCD00037312

Customs Code

2922509090

FAQ

What regulatory guidelines apply to (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6)?

Regulatory guidelines for (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6) include classification according to the GHS system, which covers health, environmental, and physical hazards. Additionally, it is subject to the Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations in the European Union. In the United States, the FDA and EPA have specific requirements for the handling and labeling of this compound based on its intended use.

Are there alternatives to (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6) in synthesis?

Several alternatives can be used in the synthesis of (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6). Common alternatives include other aminobenzyloxy compounds, such as (4S)-4-ammonio-5-(chlorobenzyloxy)-5-oxopentanoate, which can serve similar functional roles in various chemical processes. Additionally, isomers like (4R)-isomers can be used depending on the specific application.

What is the market or research trend for (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6)?

The market for (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6) is characterized by growing interest in its use as a key intermediate in pharmaceutical and fine chemical synthesis. Research trends are focusing on its application in drug discovery and development, particularly in the areas of anticancer and antiviral agents. Additionally, there is increasing demand for its use in biocatalysis and as a chiral auxiliary.

How should waste containing (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6) be handled?

Waste containing (4S)-4-Ammonio-5-(benzyloxy)-5-oxopentanoate (CAS: 13030-09-6) should be collected in appropriate containers and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended due to the compound's potential toxicity and environmental impact. Proper precautions include ensuring adequate ventilation and protective equipment to minimize exposure. Environmental protection measures should be in place to prevent contamination of water and soil.