Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate

Base Information

• Chemical Name: Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate
• CAS No.: 15917-27-8
• Molecular Formula: C₁₀H₁₂N₂O₅
• Molecular Weight: 240.216
• European Community (EC) Number: 289-138-2,240-059-1
• DSSTox Substance ID: DTXSID70166602
• Nikkaji Number: J221.236F
• Wikidata: Q83035781
• Mol file: 15917-27-8.mol

Synonyms:EINECS 289-138-2;Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate;EINECS 240-059-1;86022-41-5;Methyl threo-beta-hydroxy-4-nitro-3-phenyl-L-alaninate;15917-27-8;DTXSID70166602;methyl (2S,3R)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate;(2S,3R)-2-Amino-3-hydroxy-3-(4-nitrophenyl)propionic acid methyl ester

Chemical Property of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate

Chemical Property:

• PSA: 118.37000
• LogP: 1.35200
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 240.07462149
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate

There total 9 articles about Methyl threo-beta-hydroxy-4-nitro-3-phenyl-DL-alaninate 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:

sulfuric acid (7664-93-9) + Methyl(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate (118537-24-9) → (2RS,3RS)-2-amino-3-hydroxy-3-(4-nitro-phenyl)-propionic acid (5872-74-2,5872-75-3,10098-38-1,17580-62-0,28908-09-0,50730-77-3,110772-43-5,119934-01-9,129446-45-3,135635-69-7) + (+/-)-methyl (βR)-β-hydroxy-4-nitro-1-phenylalaninate (15917-27-8,86022-41-5,118537-24-9) + 4-nitrobenzaldehdye (555-16-8)

Guidance literature:

Reference yield:

(2RS,3SR)-2-amino-3-hydroxy-3-(4-nitro-phenyl)-propionic acid (5872-74-2,5872-75-3,10098-38-1,17580-62-0,28908-09-0,50730-77-3,110772-43-5,119934-01-9,129446-45-3,135635-69-7) → (+/-)-methyl (βR)-β-hydroxy-4-nitro-1-phenylalaninate (15917-27-8,86022-41-5,118537-24-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

methanol (67-56-1) + (2S,3R)-2-Amino-3-hydroxy-3-(4-nitro-phenyl)-propionic acid; compound with ammonia → (+/-)-methyl (βR)-β-hydroxy-4-nitro-1-phenylalaninate (15917-27-8,86022-41-5,118537-24-9)

Guidance literature:

With chloro-trimethyl-silane; for 21h;

DOI:10.1055/s-2003-37353

upstream raw materials:

(2RS,3RS)-3-hydroxy-2-(4-nitro-benzylidenamino)-3-(4-nitro-phenyl)-propionic acid methyl ester

methanol

(2RS,3SR)-2-amino-3-hydroxy-3-(4-nitro-phenyl)-propionic acid

hydrogenchloride

Downstream raw materials:

(2S,3R)-2-amino-3-hydroxy-3-(4-nitro-phenyl)-propionic acid methyl ester

Methyl(2R,3S)-2-amino-3-hydroxy-3-(4-nitrophenyl)propanoate

Methyl (+/-)-threo-N-dichloroacetyl-β-(4-nitrophenyl)serinate

chloramphenicol

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