58816-66-3

Basic information

• Product Name: H-4-NITRO-PHE-OET HCL
• Synonyms: P-NITRO-L-PHENYLALANINE ETHYL ESTER HYDROCHLORIDE;ETHYL (S)-2-AMINO-3-(4-NITROPHENYL)PROPANOIATE;H-PHE(4-NO2)-OET HCL;H-4-NITRO-PHE-OET HCL;4-NITRO-L-PHENYLALANINE ETHYL ESTER HYDROCHLORIDE;ethyl 4-nitro-3-phenyl-L-alaninate monohydrochloride;3-(4-NITRO-PHENYL)-L-ALANINE ETHYL ESTER HCL;p-Nitrophenylalanine ethyl ester hydrochloride
• CAS NO: 58816-66-3
• Molecular Formula: C₁₁H₁₄N₂O₄*ClH
• Molecular Weight: 274.7
• EINECS: 261-455-0
• Product Categories: Phenylalanine [Phe, F]
• Mol File: 58816-66-3.mol

Chemical Properties

• Melting Point: 177-180 °C
• Boiling Point: 372.1 °C at 760 mmHg
• Flash Point: 178.9 °C
• Appearance: /
• Density: 1.246 g/cm³
• Vapor Pressure: 9.83E-06mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: H-4-NITRO-PHE-OET HCL(CAS DataBase Reference)
• NIST Chemistry Reference: H-4-NITRO-PHE-OET HCL(58816-66-3)
• EPA Substance Registry System: H-4-NITRO-PHE-OET HCL(58816-66-3)

Safety Data

• Hazardous Substances Data: 58816-66-3(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
H-4-NITRO-PHE-OET HCL is used as a reagent in the synthesis of pharmaceuticals for its ability to form carbon-carbon and carbon-oxygen bonds. It aids in the preparation of biologically active compounds and contributes to the development of new medicinal products.
Used in Agrochemical Production:
In the agrochemical industry, H-4-NITRO-PHE-OET HCL is utilized as a chemical intermediate, playing a crucial role in the synthesis of various agrochemicals that are essential for crop protection and enhancement of agricultural productivity.
Used in Organic Compound Synthesis:
H-4-NITRO-PHE-OET HCL is employed as a building block in the preparation of a wide range of organic compounds, leveraging its reactivity and functional groups to facilitate the formation of desired molecular structures.
Used in Dye Production:
As a chemical intermediate, H-4-NITRO-PHE-OET HCL is used in the production of dyes, where its chemical properties contribute to the development of colorants for various applications, including textiles, plastics, and printing inks.
Used in Polymer Production:
H-4-NITRO-PHE-OET HCL also finds application in the synthesis of polymers, where it serves as a monomer or a coupling agent to create polymeric materials with specific properties for use in various industries, such as plastics, coatings, and adhesives.

InChI:InChI=1/C11H14N2O4/c1-2-17-11(14)10(12)7-8-3-5-9(6-4-8)13(15)16/h3-6,10H,2,7,12H2,1H3/t10-/m0/s1

Upstream product

• 949-99-5 4-nitro-3-phenyl-L-alanine 
• 64-17-5 ethanol 

Downstream Products

• 36097-40-2 (S)-ethyl 2-acetamido-3-(4-nitrophenyl)propanoate 
• 67630-00-6 N-(tert-butyloxycarbonyl)-4-nitro-L-phenylalanine ethyl ester 
• 263274-93-7 S-ethyl-3-(4-nitrophenyl)-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]propionate 
• 34276-53-4 ethyl (S)-2-amino-3-(4-nitrophenyl)propionate 
• 1031337-85-5 ethyl N-(4,4-dimethyl-3-oxocyclobut-1-en-1-yl)-4-nitro-L-phenylalaninate 
• 644995-08-4 3-(4-nitrophenyl)-2(S)-(3-oxospiro[3.5]non-1-en-1-ylamino)propionic acid ethyl ester 
• 17451-67-1 N-phthalimido-4-nitro-L-phenylalanine ethyl ester 
• 189744-28-3 N-(tert-butyloxycarbonyl)-4-(bis(2-chloroethyl)amino)-L-phenylalanine ethyl ester 
• 189744-27-2 N-boc-L-3-(4-bis(hydroxyethyl)aminophenyl)alanine ethyl ester 
• 67630-01-7 (S)-3-(4-aminophenyl)-2-tert-butoxycarbonylamino-propionic acid ethyl ester 

Relevant articles and documents

A PROCESS FOR THE SYNTHESIS OF MELPHALAN

The invention relates to a process for the preparation of Melphalan (4-[bis(2-5 chloroethyl)amino]-L-phenylalanine of formula (I) said process comprising the reaction of a 4-amino-L-phenylalanine protected at the carboxy and amino aminoacidic groups with an agent able to convert the aromatic amino group into a group of formula: -N(CH2CH2OS(O)nO-)2, wherein n is 1 or 2 followed by conversion of the –-N(CH2CH2OS(O)nO-)2 group into a -N(CH2CH2Cl)2 group. The invention also provides novel intermediates useful for the preparation of Melphalan.

Tuning the reaction pathways of phenanthroline-Schiff bases: Routes to novel phenanthroline ligands

Pyrido-phenanthrolin-7-one compounds are structural analogues of the cytotoxic alkaloid, ascididemin, and would be expected to have interesting biological activities. Synthetic strategies are reported for a novel simple route to form this class of ligand. 1,10-Phenanthrolin-5,6-dione reacts with l-phenylalanine alkyl esters and their para-substituted analogues to form both a phenanthroline-oxazine and a pyrido-phenanthrolin-7-one product. The nature of the major product is dependent on the electronic properties of the para substituent. Successful metal coordination to the pyrido-phenanthrolin-7-one ligand is also presented.

VLA-4 ANTAGONISTS

Substituted N-[N-(sulphonylphenyl)sulfonyl-prolyl]-phenylalanine derivatives of the present invention are antagonists of the VLA-4 integrin and are useful in the treatment, prevention and suppression of diseases mediated by VLA-4-binding and cell adhesion and activation. Moreover, the compounds of the present invention demonstrate significant receptor occupancy of VLA-4 bearing cells after oral administration and are suitable for once-, twice-, or thrice-a-day oral administration. This invention also relates to compositions containing such compounds and methods of treatment using such compounds.

VLA-4 ANTAGONISTS

Compounds of Formula I are antagonists of VLA-4, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of inflammatory bowel disease including ulcerative colitis and Crohn’s disease, multiple sclerosis, asthma, and rheumatoid arthritis.