117391-57-8

Basic information

• Product Name: 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID
• Synonyms: 3-AMINO-3-(3,4-DICHLOROPHENYL)PROPANOIC ACID;3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID;3-(3,4-DICHLOROPHENYL)-BETA-ALANINE;BIO-FARMA BF000148;DL-3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID;RARECHEM AK HC T316;VITAS-BB TBB000068;3-(3,4-Dichloro-phenyl)-DL-beta-alanine
• CAS NO: 117391-57-8
• Molecular Formula: C₉H₉Cl₂NO₂
• Molecular Weight: 234.08
• Product Categories: B-Amino
• Mol File: 117391-57-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 224-226°C
• Boiling Point: 371.9 °C at 760 mmHg
• Flash Point: 178.7 °C
• Appearance: /
• Density: 1.447 g/cm³
• Vapor Pressure: 3.43E-06mmHg at 25°C
• Refractive Index: 1.6
• PKA: 3.54±0.10(Predicted)
• CAS DataBase Reference: 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID(117391-57-8)
• EPA Substance Registry System: 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID(117391-57-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 117391-57-8(Hazardous Substances Data)

Usage

General Description

3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID is a chemical compound with the molecular formula C9H9Cl2NO2. It is a derivative of propionic acid and contains a 3-amino group and a 3,4-dichloro-phenyl group. 3-AMINO-3-(3,4-DICHLORO-PHENYL)-PROPIONIC ACID is commonly used in the synthesis of pharmaceuticals and agrochemicals, and it has potential applications in fields such as organic chemistry, medicinal chemistry, and material science. It is important to handle this chemical with care, as it may have hazardous properties and should be used in accordance with safety protocols and regulations.

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

Upstream product

• 141-82-2 malonic acid 
• 6287-38-3 3,4-dichlorobenzaldehyde 

Downstream Products

• 124082-27-5 3-(3,4-Dichloro-phenyl)-3-(2-ethoxycarbonyl-acetylamino)-propionic acid methyl ester 
• 117291-40-4 3-(3,4-Dichloro-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionyl chloride 
• 117291-22-2 3-(3,4-Dichloro-phenyl)-3-(2,2,2-trifluoro-acetylamino)-propionic acid 
• 124082-20-8 3-Amino-3-(3,4-dichloro-phenyl)-propionic acid methyl ester; hydrochloride 

Relevant articles and documents

Synthesis and biological evaluation of 3-phenyl-3-aryl carboxamido propanoic acid derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26A1)

All-trans-retinoic acid (ATRA), the biologically active metabolite of vitamin A, is used medicinally for the treatment of hyperproliferative diseases and cancers. However, it is easily metabolized. In this study, the leading compound S8 was found based on virtual screening. To improve the activity of the leading compound S8, a series of novel S8 derivatives were designed, synthesized and evaluated for their in vitro biological activities. All of the prepared compounds showed that substituting the 5-chloro-3-methyl-1-phenyl-1H-pyrazole group for the 2-tertbutyl-5-methylfuran scaffold led to a clear increase in the biological activity. The most promising compound 32, with a CYP26A1 IC50 value of 1.36 μM (compared to liarozole (IC50 = 2.45 μM) and S8 (IC50 = 3.21 μM)) displayed strong inhibitory and differentiation activity against HL60 cells. In addition, the study focused on the effect of β-phenylalanine, which forms the coordination bond with the heme of CYP26A1. These studies suggest that the compound 32 can be used as an appropriate candidate for future development.

Structural modifications of thalidomide produce analogs with enhanced tumor necrosis factor inhibitory activity

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Une synthese simple des premieres amino-3 indanones-1

The synthesis of various substituted 3-amino-1-indanones was achieved in five steps starting from corresponding benzaldehydes.