((4-Nitrophenyl)methyl)succinic acid

Base Information

• Chemical Name: ((4-Nitrophenyl)methyl)succinic acid
• CAS No.: 56416-12-7
• Molecular Formula: C11H11NO6
• Molecular Weight: 253.211
• European Community (EC) Number: 260-164-6
• DSSTox Substance ID: DTXSID20971849
• Nikkaji Number: J296.664F
• Mol file: 56416-12-7.mol

Synonyms:56416-12-7;D,L-(p-Nitrobenzyl)succinic Acid;2-[(4-nitrophenyl)methyl]butanedioic acid;((4-Nitrophenyl)methyl)succinic acid;[(4-nitrophenyl)methyl]succinic acid;EINECS 260-164-6;p-nitrobenzyl-succinic acid;SCHEMBL11123380;DTXSID20971849;2-(4-nitrobenzyl)butanedioic acid;AKOS015940645;DL-(P-NITROBENZYL)SUCCINIC ACID;FT-0672773

Chemical Property of ((4-Nitrophenyl)methyl)succinic acid

Chemical Property:

• Vapor Pressure: 4.77E-08mmHg at 25°C
• Melting Point: 149-151oC
• Boiling Point: 426.9°Cat760mmHg
• Flash Point: 182.9°C
• PSA: 120.42000
• Density: 1.461g/cm³
• LogP: 1.83600
• Storage Temp.: -20°C Freezer
• Solubility.: Acetone, DMF, DMSO, Ethyl Acetate
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 253.05863707
• Heavy Atom Count: 18
• Complexity: 329

Purity/Quality:

98%Min ^*data from raw suppliers

D,L-(p-Nitrobenzyl)succinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC(CC(=O)O)C(=O)O)[N+](=O)[O-]
• Uses: D,L-(p-Nitrobenzyl)succinic Acid can be used as an intermediate in the synthesis of D,L-(p-aminobenzyl)succinic acid which has been used as a ligand for affinity chromatographic isolation of pancreatic carboxypeptidase A and B enzymes. An intermediate in the synthesis of D,L-(p-aminobenzyl)succinic acid which has been used as a ligand for affinity chromatographic isolation of pancreatic carboxypeptidase A and B enzymes.See also: Cat. No. B29200

Technology Process of ((4-Nitrophenyl)methyl)succinic acid

There total 3 articles about ((4-Nitrophenyl)methyl)succinic 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:

2-Ethoxycarbonyl-2-(4-nitro-benzyl)-succinic acid diethyl ester (56416-10-5) → [(4-nitrophenyl)methyl]succinic acid (56416-12-7)

Guidance literature:

With hydrogenchloride;

DOI:10.1039/P19750000830

Reference yield:

4-nitrobenzyl chloride (100-14-1) → [(4-nitrophenyl)methyl]succinic acid (56416-12-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NaOEt, (ii) /BRN= 387187/

2: aq. HCl

With hydrogenchloride;

DOI:10.1039/P19750000830

Reference yield:

→ [(4-nitrophenyl)methyl]succinic acid (56416-12-7)

Guidance literature:

DL-Benzylbernsteinsaeure, HNO3;

DOI:10.1021/bi00587a015

upstream raw materials:

2-Ethoxycarbonyl-2-(4-nitro-benzyl)-succinic acid diethyl ester

4-nitrobenzyl chloride

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