5-Benzyloxy-2-nitrophenylpyruvic acid

Base Information

• Chemical Name: 5-Benzyloxy-2-nitrophenylpyruvic acid
• CAS No.: 22424-59-5
• Molecular Formula: C16H13 N O6
• Molecular Weight: 315.282
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30340067
• Wikidata: Q82109516
• ChEMBL ID: CHEMBL3247415
• Mol file: 22424-59-5.mol

Synonyms:5-Benzyloxy-2-nitrophenylpyruvic acid;22424-59-5;3-(2-nitro-5-phenylmethoxyphenyl)-2-oxopropanoic acid;3-[5-(Benzyloxy)-2-nitrophenyl]-2-oxopropanoic acid;3-(5-(Benzyloxy)-2-nitrophenyl)-2-oxopropanoic acid;SCHEMBL7814604;CHEMBL3247415;DTXSID30340067;AKOS024371037;FT-0620044;3-[5-(Benzyloxy)-2-nitrophenyl]-2-oxopropanoic acid #

Chemical Property of 5-Benzyloxy-2-nitrophenylpyruvic acid

Chemical Property:

• Vapor Pressure: 6.15E-12mmHg at 25°C
• Melting Point: 100-105 °C
• Refractive Index: 1.619
• Boiling Point: 527.1°C at 760 mmHg
• PKA: 2.32±0.54(Predicted)
• Flash Point: 272.6°C
• PSA: 109.42000
• Density: 1.388g/cm³
• LogP: 2.89320
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 315.07428713
• Heavy Atom Count: 23
• Complexity: 440

Purity/Quality:

98% ^*data from raw suppliers

5-BENZYLOXY-2-NITROPHENYLPYRUVIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=C(C=C2)[N+](=O)[O-])CC(=O)C(=O)O
• Uses: 3-(5-(Benzyloxy)-2-nitrophenyl)-2-oxopropanoic Acid is a useful synthesis intermediate. An organic synthesis building block.

Technology Process of 5-Benzyloxy-2-nitrophenylpyruvic acid

There total 4 articles about 5-Benzyloxy-2-nitrophenylpyruvic acid 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:

5-benzyloxy-2-nitrotoluene (22424-58-4) + oxalic acid diethyl ester (95-92-1) → (5-benzyloxy-2-nitro-phenyl)-pyruvic acid (22424-59-5)

Guidance literature:

With diethyl ether; potassium ethoxide;

DOI:10.1039/jr9430000049 DOI:10.1039/jr9370000402

Reference yield:

3-methyl-4-nitrophenol (2581-34-2,910311-23-8) → (5-benzyloxy-2-nitro-phenyl)-pyruvic acid (22424-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

2: potassium ethylate; diethyl ether

With diethyl ether; ethanol; potassium ethoxide; sodium ethanolate;

DOI:10.1039/jr9430000049

Reference yield:

benzyl chloride (100-44-7) → (5-benzyloxy-2-nitro-phenyl)-pyruvic acid (22424-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

2: potassium ethylate; diethyl ether

With diethyl ether; ethanol; potassium ethoxide; sodium ethanolate;

DOI:10.1039/jr9430000049

upstream raw materials:

diethyl ether

5-benzyloxy-2-nitrotoluene

potassium ethoxide

oxalic acid diethyl ester

Downstream raw materials:

2-(5-benzyloxy-1H-indol-3-yl)acetic acid

5-benzyloxygramine

5-benzyloxy-1H-indole-2-carboxylic acid methyl ester

2-(5-(benzyloxy)-1H-indol-1-yl)-N,N-dimethylethan-1-amine