114873-13-1

Basic information

• Product Name: BOC-D-3,4-Dichlorophe
• Synonyms: BOC-D-PHE(3,4-CL2)-OH;BOC-D-PHE(3,4-DI-CL)-OH;BOC-D-PHE(M,P-CL2)-OH;BOC-D-3,4-DICHLOROPHE;BOC-D-3,4-DICHLOROPHENYLALANINE;BOC-(3,4-DI-CL)-D-PHE-OH;BOC-3,4-DICHLORO-D-PHENYLALANINE;BOC-3,4-DICHLORO-D-PHE-OH
• CAS NO: 114873-13-1
• Molecular Formula: C14H17Cl2NO4
• Molecular Weight: 334.2
• Product Categories: Amino Acids;Phenylalanine analogs and other aromatic alpha amino acids;Amino Acid Derivatives;Peptide;a-amino
• Mol File: 114873-13-1.mol

Chemical Properties

• Melting Point: 120°C
• Boiling Point: 478.1 °C at 760 mmHg
• Flash Point: 242.9 °C
• Appearance: /
• Density: 1.3859 (rough estimate)
• Vapor Pressure: 6.01E-10mmHg at 25°C
• Refractive Index: 1.6200 (estimate)
• Storage Temp.: -15°C
• PKA: 3.75±0.10(Predicted)
• BRN: 8428163
• CAS DataBase Reference: BOC-D-3,4-Dichlorophe(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-D-3,4-Dichlorophe(114873-13-1)
• EPA Substance Registry System: BOC-D-3,4-Dichlorophe(114873-13-1)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 114873-13-1(Hazardous Substances Data)

Usage

Uses

BOC-D-3,4-Dichlorophe is used as a key intermediate in the synthesis of pharmaceutical compounds, particularly for the development of inhibitors and receptor antagonists.
Used in Pharmaceutical Industry:
BOC-D-3,4-Dichlorophe is used as a building block for the preparation of fluorinated β-aminoacyl 1,2,4-triazolo[4,3-a]piperazine amides. These compounds serve as dipeptidyl peptidase IV (DPP-IV) inhibitors and are utilized as antidiabetic agents, helping to regulate blood sugar levels in patients with diabetes.
BOC-D-3,4-Dichlorophe is also used in the synthesis of N-[(R,R)-(E)-1-(3,4-dichlorobenzyl)-3-(2-oxoazepan-3-yl)carbamoyl]allyl-N-methyl-3,5-bis(trifluoromethyl)benzamide. BOC-D-3,4-Dichlorophe is a potent and orally active dual neurokinin NK1/NK2 receptor antagonist, which has potential applications in the treatment of various conditions, including pain, inflammation, and psychiatric disorders.

InChI:InChI=1/C14H17Cl2NO4/c1-14(2,3)21-13(20)17-11(12(18)19)7-8-4-5-9(15)10(16)6-8/h4-6,11H,7H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 5472-67-3 2-amino-3-(3,4-dichlorophenyl)propionic acid 

Downstream Products

• 1225591-35-4 ethyl 1-[(R)-2-tert-butoxycarbonylamino-3-(3,4-dichlorophenyl)propionyl]-4-cyclohexylpiperidine-4-carboxylate 
• 1300217-20-2 (R)-N-[(S)-1-[(2-amino-thiazol-5-ylmethyl)-carbamoyl]-2-(3,4-dichloro-phenyl)-ethyl]-2-hydroxy-3-phenyl-propionamide trifluoroacetate 
• 1300215-71-7 3-methyl-1H-pyrrole-2-carboxylic acid [(S)-1-[(2-amino-thiazol-5-ylmethyl)-carbamoyl]-2-(3,4-dichloro-phenyl)-ethyl]-amide 
• 1300197-98-1 (R)-N-{(S)-2-(3,4-dichloro-phenyl)-1-[(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-carbamoyl]-ethyl}-2-hydroxy-3-phenyl-propionamide trifluoroacetate 
• 119745-77-6 [(S)-1-{(R)-1-[({[(S)-1-Carbamoyl-2-(3,4-dichloro-phenyl)-ethyl]-ethyl-carbamoyl}-methyl)-carbamoyl]-4-guanidino-butylcarbamoyl}-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester 
• 119745-17-4 ({[(S)-1-Carbamoyl-2-(3,4-dichloro-phenyl)-ethyl]-ethyl-carbamoyl}-methyl)-carbamic acid tert-butyl ester 
• 119744-83-1 (S)-3-(3,4-Dichloro-phenyl)-2-ethylamino-propionamide 

Relevant articles and documents

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