d-Alanine-p-nitroanilide

Base Information

• Chemical Name: d-Alanine-p-nitroanilide
• CAS No.: 77286-89-6
• Molecular Formula: C₉H₁₁N₃O₃
• Molecular Weight: 209.205
• DSSTox Substance ID: DTXSID70428474
• Wikidata: Q82241314
• ChEMBL ID: CHEMBL152134

Synonyms:d-alanine-p-nitroanilide;77286-89-6;CHEMBL152134;SCHEMBL9259881;DTXSID70428474;AKOS017427307

Chemical Property of d-Alanine-p-nitroanilide

Chemical Property:

• Boiling Point: 443.4±30.0 °C(Predicted)
• PSA: 100.94000
• Density: 1.350±0.06 g/cm3(Predicted)
• LogP: 2.17700
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.08004122
• Heavy Atom Count: 15
• Complexity: 244

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N
• Isomeric SMILES: C[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N

Technology Process of d-Alanine-p-nitroanilide

There total 5 articles about d-Alanine-p-nitroanilide 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:

t-butoxycarbonyl-L-alanine p-nitroanilide (52815-81-3) → L-alanine-p-nitroanilide (1668-13-9,26017-82-3,26432-41-7,77286-89-6)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃;

DOI:10.1016/j.tet.2008.07.051

Reference yield:

benzyl (S)-(1-((4-nitrophenyl)amino)-1-oxopropan-2-yl)carbamate (1168-86-1) → L-alanine-p-nitroanilide (1668-13-9,26017-82-3,26432-41-7,77286-89-6)

Guidance literature:

With hydrogen bromide; In acetic acid;

DOI:10.1248/cpb.30.4060

Reference yield:

N-succinyl-L-alanyl-L-alanyl-L-alanine 4-nitroanilide (52299-14-6) → L-alanine-p-nitroanilide (1668-13-9,26017-82-3,26432-41-7,77286-89-6) + N-succinyl-Ala-Ala (141509-27-5)

Guidance literature:

With endopeptidase; In various solvent(s); at 25 ℃; for 1h; pH=8.0; apparent rate of hydrolysis;

DOI:10.1248/cpb.34.275

upstream raw materials:

N-succinyl-L-alanyl-L-alanyl-L-alanine 4-nitroanilide

benzyl (S)-(1-((4-nitrophenyl)amino)-1-oxopropan-2-yl)carbamate

t-butoxycarbonyl-L-alanine p-nitroanilide

4-nitro-aniline

Downstream raw materials:

[({[(S)-1-(4-Nitro-phenylcarbamoyl)-ethylcarbamoyl]-methyl}-carbamoyl)-methyl]-carbamic acid benzyl ester

((S)-1-{(S)-3-Methyl-1-[(S)-1-(4-nitro-phenylcarbamoyl)-ethylcarbamoyl]-butylcarbamoyl}-ethyl)-carbamic acid benzyl ester

((S)-3-Methyl-1-{(S)-3-methyl-1-[(S)-1-(4-nitro-phenylcarbamoyl)-ethylcarbamoyl]-butylcarbamoyl}-butyl)-carbamic acid benzyl ester

({(S)-1-[(S)-1-(4-Nitro-phenylcarbamoyl)-ethylcarbamoyl]-ethylcarbamoyl}-methyl)-carbamic acid benzyl ester

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