Chlorooxoacetic acid 4-nitrophenyl ester

Base Information

• Chemical Name: Chlorooxoacetic acid 4-nitrophenyl ester
• CAS No.: 78974-67-1
• Molecular Formula: C8H4ClNO5
• Molecular Weight: 229.576
• DSSTox Substance ID: DTXSID30560566
• Wikidata: Q82443981
• Mol file: 78974-67-1.mol

Synonyms:CHLOROOXOACETIC ACID 4-NITROPHENYL ESTER;78974-67-1;(4-nitrophenyl) 2-chloro-2-oxoacetate;p-nitrophenyl chloroglyoxylate;SCHEMBL9486189;4-Nitrophenyl chloro(oxo)acetate;DTXSID30560566

Chemical Property of Chlorooxoacetic acid 4-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 0.000121mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 335.3 °C at 760 mmHg
• Flash Point: 156.6 °C
• PSA: 89.19000
• Density: 1.557 g/cm³
• LogP: 1.78880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 228.9777999
• Heavy Atom Count: 15
• Complexity: 279

Purity/Quality:

98%Min ^*data from raw suppliers

CHLOROOXOACETIC ACID 4-NITROPHENYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(=O)Cl

Technology Process of Chlorooxoacetic acid 4-nitrophenyl ester

There total 1 articles about Chlorooxoacetic acid 4-nitrophenyl ester 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: 100.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + oxalyl dichloride (79-37-8) → p-Nitrophenyl chloroglyoxylate (78974-67-1)

Guidance literature:

for 20h; Heating;

DOI:10.1562/0031-8655(2002)076<0473:PCDFLF>2.0.CO;2

Reference yield: 86.0%

p-Nitrophenyl chloroglyoxylate (78974-67-1) + (3S,4S)-3-<(1'R)-1'-(tert-butyldimetylsiloxy)ethyl>-4-<1-fluoro-1-(phenylthiocarbonyl)-methyl>azetidin-2-one → [(2S,3S)-3-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-2-(fluoro-phenylsulfanylcarbonyl-methyl)-4-oxo-azetidin-1-yl]-oxo-acetic acid 4-nitro-phenyl ester

Guidance literature:

With N-ethyl-N,N-diisopropylamine; calcium carbonate; In dichloromethane; for 1h; Ambient temperature;

DOI:10.3987/com-95-s69

Reference yield: 50.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + p-Nitrophenyl chloroglyoxylate (78974-67-1) → p-nitrophenyl 3-diazopyruvate (111337-51-0)

Guidance literature:

In diethyl ether; at 0 ℃;

DOI:10.1562/0031-8655(2002)076<0473:PCDFLF>2.0.CO;2

upstream raw materials:

4-nitro-phenol

oxalyl dichloride

Downstream raw materials:

Oxalic acid (2S,5R)-5-(6-hydroxy-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester 4-nitro-phenyl ester

Oxalic acid (2S,5R)-5-(6-amino-purin-9-yl)-tetrahydro-furan-2-ylmethyl ester 4-nitro-phenyl ester

Oxalic acid (2S,5R)-5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester 4-nitro-phenyl ester

Oxalic acid (2S,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester 4-nitro-phenyl ester

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