(S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride

Base Information

• Chemical Name: (S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride
• CAS No.: 77835-49-5
• Molecular Formula: C₁₁H₁₅N₃O₃*ClH
• Molecular Weight: 273.719
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90585290
• Mol file: 77835-49-5.mol

Synonyms:77835-49-5;L-Valine p-nitroanilide hydrochloride;H-Val-Pna HCl;(S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride;L-Valine 4-nitroanilide hydrochloride;L-Valine p-nitroanilide HCl;MFCD00058470;(2S)-2-amino-3-methyl-N-(4-nitrophenyl)butanamide;hydrochloride;H-L-Val-pNA HCl;DTXSID90585290;AS-81624;N-(4-Nitrophenyl)-L-valinamide--hydrogen chloride (1/1);(2S)-2-AMINO-3-METHYL-N-(4-NITROPHENYL)BUTANAMIDE HYDROCHLORIDE

Chemical Property of (S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride

Chemical Property:

• PSA: 100.94000
• LogP: 3.61510
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.0880191
• Heavy Atom Count: 18
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

L-Valine 4-nitroanilide hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride

There total 2 articles about (S)-2-Amino-3-methyl-N-(4-nitrophenyl)butanamide hydrochloride 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:

Boc-Val-pNA → HCl*H-Val-pNA (77835-49-5)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; at 0 - 20 ℃; for 14h;

DOI:10.1016/j.tet.2020.131252

Reference yield:

t-Boc-L-valine (13734-41-3) → HCl*H-Val-pNA (77835-49-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 24 h / 20 °C / Inert atmosphere

2: hydrogenchloride / dichloromethane; water / 14 h / 0 - 20 °C

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; water;

DOI:10.1016/j.tet.2020.131252

upstream raw materials:

t-Boc-L-valine

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