4-Methyl-2-(4-nitroanilino)pentanamide

Base Information

• Chemical Name: 4-Methyl-2-(4-nitroanilino)pentanamide
• CAS No.: 4178-93-2
• Deprecated CAS: 110893-28-2,86237-92-5
• Molecular Formula: C12H17N3O3
• Molecular Weight: 251.285
• Hs Code.: 29252900
• Mol file: 4178-93-2.mol

Synonyms:4-methyl-2-(4-nitroanilino)pentanamide

Chemical Property of 4-Methyl-2-(4-nitroanilino)pentanamide

Chemical Property:

• Appearance/Colour: Crystalline, colourless liquid
• Vapor Pressure: 1.89E-08mmHg at 25°C
• Melting Point: 88-90 °C
• Refractive Index: 1.5290 (estimate)
• Boiling Point: 454.5 °C at 760 mmHg
• Flash Point: 228.7 °C
• PSA: 100.94000
• Density: 1.226 g/cm³
• LogP: 3.20320
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO (>100 mM), and methanol (>25 mM).
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.12699141
• Heavy Atom Count: 18
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

L-Leucine 4-nitroanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CC(C(=O)N)NC1=CC=C(C=C1)[N+](=O)[O-]
• Uses: Substrate for the colorimetric determination of leucine aminopeptidase. H-Leu-pna is an inhibitor.

Technology Process of 4-Methyl-2-(4-nitroanilino)pentanamide

There total 4 articles about 4-Methyl-2-(4-nitroanilino)pentanamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Z-L-Leu-pNA (1174-27-2) → (S)-2-amino-4-methyl-N-(4-nitrophenyl)valeramide (4178-93-2,110893-28-2,86237-92-5,63324-49-2,6664-98-8)

Guidance literature:

With hydrogen bromide; In acetic acid;

DOI:10.1248/cpb.30.4060

Reference yield:

N-tert-butoxycarbonyl-L-leucine p-nitroanilide (114684-52-5) → (S)-2-amino-4-methyl-N-(4-nitrophenyl)valeramide (4178-93-2,110893-28-2,86237-92-5,63324-49-2,6664-98-8)

Guidance literature:

With trifluoroacetic acid;

Reference yield:

(S)-1-[(S)-2-((S)-2-Amino-propionylamino)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-3-methyl-1-(4-nitro-phenylcarbamoyl)-butyl]-amide → (S)-2-amino-4-methyl-N-(4-nitrophenyl)valeramide (4178-93-2,110893-28-2,86237-92-5,63324-49-2,6664-98-8)

Guidance literature:

With musk melon protease; In water; Rate constant;

upstream raw materials:

Z-L-Leu-pNA

N-tert-butoxycarbonyl-L-leucine p-nitroanilide

Downstream raw materials:

benzyloxycarbonylleucyl-leucine p-nitroanilide

N-tert-butyloxycarbonylglycyl-L-phenylalanyl-L-leucine p-nitroanilide

4-nitro-aniline

L-leucine