(3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid

Basic Information

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CAS Number

757937-66-9

Molecular Formula

C9H9Cl2NO2

Molecular Weight

234.08 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

371.1°C at 760 mmHg

Density

1.447

Flash Point

178.3°C

Refractive Index

1.6

SMILES

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C1=CC(=C(C=C1Cl)Cl)C(CC(=O)O)N

InChI

InChI=1S/C9H9Cl2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

InChIKey

QGHQDRDWQIHGKZ-QMMMGPOBSA-N

LogP

2.4679

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

213

Synonyms & References

English

(3S)-3-amino-3-(2,4-dichlorophenyl)propanoic acid
AC-25378
AKOS016843637
757937-66-9
DTXSID60351661
(S)-3-Amino-3-(2,4-dichlorophenyl)propanoicacid
N12320
(S)-3-Amino-3-(2,4-dichloro-phenyl)propionic acid
(S)-3-Amino-3-(2,4-dichlorophenyl)propionic acid
PS-12099
CS-0157096
(S)-3-Amino-3-(2,4-dichloro-phenyl)-propionic acid
(S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid
S-3-Amino-3-(2,4-dichlorophenyl)propionic acid
MFCD04113673
(S)-3-Amino-3-(2,4-dichlorophenyl)-propionic acid
Benzenepropanoic acid, b-amino-2,4-dichloro-, (bS)-

MDL Number

MFCD04113673

FAQ

What are the physical and chemical properties of (3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid (CAS: 757937-66-9)?

(3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid is a white crystalline solid. It has a molecular weight of approximately 275.03 g/mol and a solubility of about 10 mg/L in water. It is relatively stable in air and light but can react with bases to form amines. It has limited solubility in common organic solvents like ethanol and acetone. This compound is not highly reactive but can undergo nucleophilic substitutions under certain conditions.

How is (3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid (CAS: 757937-66-9) typically synthesized?

(3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid can be synthesized via a multi-step process involving the reaction of 2,4-dichlorobenzaldehyde with ammonia to form the corresponding imine, followed by reduction to the amino alcohol and subsequent esterification. This process often requires the use of palladium catalysts and selective reagents to ensure high yield and purity.

What industries use (3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid (CAS: 757937-66-9)?

(3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It may also have some applications in the polymer industry for developing functional polymers, and in sensor technology for detecting specific chemical compounds. Its use in semiconductors is less common but not entirely ruled out.

What precautions should be taken when handling (3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid (CAS: 757937-66-9)?

When handling (3S)-3-Amino-3-(2,4-dichlorophenyl)propanoic acid, it is essential to wear appropriate personal protective equipment such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight. Use a fume hood during synthesis and handling to avoid inhaling dust or fumes. In case of a spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for detailed instructions.