(3S)-3-Amino-3-(3-nitrophenyl)propanoic acid

Basic Information

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CAS Number

734529-57-8

Molecular Formula

C9H10N2O4

Molecular Weight

210.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

384.5°C at 760 mmHg

Density

1.404

Flash Point

186.4°C

Refractive Index

1.612

SMILES

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C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)N

InChI

InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1

InChIKey

SJBFILRQMRECCK-QMMMGPOBSA-N

LogP

2.29280

Complexity

251

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

Sensitiveness

Air Sensitive

Synonyms & References

English

PS-12456
AC-25405
(s)-3-(3-nitrophenyl)-beta-alanine
BCP11611
S-3-Amino-3-(3-nitro-phenyl)-propionic acid
A13117
AKOS015891095
(3S)-3-amino-3-(3-nitrophenyl)propanoic acid
(S)-3-Amino-3-(3-nitrophenyl)propanoicacid
EN300-312404
(s)-3-amino-3-(3-nitrophenyl)propionic acid
(s)-3-amino-3-(3-nitro-phenyl)-propanoic acid
(S)-beta-(3-Nitrophenyl)alanine
h-beta-phe(3-no2)-oh
S-3-Amino-3-(3-nitrophenyl)propionic acid
(s)-3-amino-3-(3-nitro-phenyl)-propionic acid
(s)-3-amino-3-(3-nitrophenyl)propanoic acid
DTXSID70351677
SCHEMBL3859569
SJBFILRQMRECCK-QMMMGPOBSA-N
MFCD04113693
734529-57-8
h-d-phg(3-no2)-(c*ch2)oh
CS-0156985
(S)-3-Amino-3-(3-nitrophenyl)propanoic acid
(S)-3-Amino-3-(3-nitrophenyl)propionic acid
(S)-3-Amino-3-(3-Nitro-Phenyl)-Propionic Acid
(S)-3-Amino-3-(3-nitrophenyl)-propionic acid
H-L-b-phe(3-NO2)-OH
(S)-beta-(3-nitrophenyl)alanine

MDL Number

MFCD04113693

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (3S)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 734529-57-8)?

(3S)-3-Amino-3-(3-nitrophenyl)propanoic acid is a white crystalline solid with a molecular weight of approximately 218.08 g/mol. It has a solubility of about 0.1 g/100 mL in water at 25°C. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions and acid/base catalysis. It is stable under normal storage conditions but should be stored in a cool, dry place away from direct sunlight to prevent degradation.

How is (3S)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 734529-57-8) typically synthesized?

(3S)-3-Amino-3-(3-nitrophenyl)propanoic acid can be synthesized by the condensation of 3-nitrobenzaldehyde with 3-aminopropanoyl chloride in the presence of an acid catalyst such as sulfuric acid. The reaction typically proceeds with good yield and selectivity. The product can be purified by recrystallization from appropriate solvents to achieve high purity.

What industries use (3S)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 734529-57-8)?

(3S)-3-Amino-3-(3-nitrophenyl)propanoic acid is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also applicable in the chemical industry for polymer synthesis and as a component in the development of sensors and semiconductors. Its specific applications in these sectors are dependent on its unique chemical properties and reactivity.

What precautions should be taken when handling (3S)-3-Amino-3-(3-nitrophenyl)propanoic acid (CAS: 734529-57-8)?

When handling (3S)-3-Amino-3-(3-nitrophenyl)propanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure to airborne particles. Spills should be cleaned up immediately using appropriate absorbent materials and disposed of according to safety data sheet (SDS) guidelines. The SDS should be consulted for detailed handling and storage instructions.