269396-56-7

Basic information

• Product Name: BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID
• Synonyms: BOC-D-PHE(3,4-CL 2)-(C*CH2)OH;BOC-D-BETA-HOPHE(3,4-DICL)-OH;BOC-3,4-DICHLORO-D-BETA-HOMOPHENYLALANINE;BOC-(R)-3-AMINO-4-(3,4-DICHLOROPHENYL)BUTANOIC ACID;BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID;N-BETA-T-BUTOXYCARBONYL-D-HOMO(3,4-DICHLOROPHENYL)ALANINE;N-T-BUTOXYCARBONYL-(R)-3-AMINO-4-(3,4-DICHLOROPHENYL)BUTANOIC ACID;RARECHEM AK PT B040
• CAS NO: 269396-56-7
• Molecular Formula: C₁₅H₁₉Cl₂NO₄
• Molecular Weight: 348.22
• EINECS: 222-980-0
• Product Categories: 3-Amino-4-phenylbutanoic Acid Analogs;B-Amino
• Mol File: 269396-56-7.mol

Chemical Properties

• Boiling Point: 494.798 °C at 760 mmHg
• Flash Point: 253.045 °C
• Appearance: /
• Density: 1.294
• Vapor Pressure: 1.31E-10mmHg at 25°C
• Refractive Index: 1.543
• Storage Temp.: 2-8°C
• PKA: 4.36±0.10(Predicted)
• CAS DataBase Reference: BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID(269396-56-7)
• EPA Substance Registry System: BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID(269396-56-7)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 269396-56-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research and Development:
BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of new drugs with potential therapeutic applications.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID is employed as a structural component in the design and synthesis of bioactive molecules, leveraging its unique properties to enhance drug efficacy and selectivity.
Used in Chemical Research:
BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID is utilized as a research compound to explore its chemical properties and reactivity, contributing to the advancement of chemical knowledge and the creation of novel chemical entities.
Used in Drug Development:
BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID is used as a precursor in drug development for its potential to be incorporated into new pharmaceuticals, offering a pathway to improved treatments and therapies.
Used in Chemical Synthesis:
In chemical synthesis, BOC-(R)-3-AMINO-4-(3,4-DICHLORO-PHENYL)-BUTYRIC ACID is used as a reactant or building block for creating complex organic molecules, taking advantage of its functional groups for further chemical transformations.

InChI:InChI=1/C15H19Cl2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1

Relevant articles and documents

Discovery of potent and selective β-homophenylalanine based dipeptidyl peptidase IV inhibitors

Modification of in-house screening lead β-aminoacyl proline 8 gave an equipotent thiazolidide 9. Extensive SAR studies on the phenyl ring of 9 led to the discovery of a novel series of potent and selective DP-IV inhibitors. Introduction of a fluorine at the 2-position proved to be crucial for the potency of this series. The 2,5-difluoro (22q) and 2,4,5-trifluoro (22t) analogues were potent inhibitors of DP-IV (IC50 = 270, 119 nM, respectively).