N-2,4-DNP-DL-METHIONINE SULFOXIDE

Base Information

• Chemical Name: N-2,4-DNP-DL-METHIONINE SULFOXIDE
• CAS No.: 1695-02-9
• Molecular Formula: C11H13 N3 O7 S
• Molecular Weight: 331.306
• European Community (EC) Number: 216-910-8
• DSSTox Substance ID: DTXSID00937640
• Mol file: 1695-02-9.mol

Synonyms:Butyricacid, 2-(2,4-dinitroanilino)-4-(methylsulfinyl)-, DL- (8CI);2,4-Dinitrophenyl-DL-methionine sulfoxide; DNP-DL-methionine sulfoxide;N-(2,4-Dinitrophenyl)-DL-methionine sulfoxide

Chemical Property of N-2,4-DNP-DL-METHIONINE SULFOXIDE

Chemical Property:

• Vapor Pressure: 3.16E-20mmHg at 25°C
• Boiling Point: 694.1°Cat760mmHg
• PKA: 3.31±0.10(Predicted)
• Flash Point: 373.6°C
• PSA: 177.25000
• Density: 1.631g/cm³
• LogP: 3.12180
• Storage Temp.: −20°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 331.04742094
• Heavy Atom Count: 22
• Complexity: 462

Purity/Quality:

99% ^*data from raw suppliers

N-(2,4-DINITROPHENYL)-DL-METHIONINE SULFOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CS(=O)CCC(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of N-2,4-DNP-DL-METHIONINE SULFOXIDE

There total 2 articles about N-2,4-DNP-DL-METHIONINE SULFOXIDE 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:

L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + 2,4-Dinitrofluorobenzene (70-34-8,65727-75-5) → N-(2,4-dinitro-phenyl)-methionine S-oxide (1695-02-9)

Guidance literature:

With sodium carbonate;

DOI:10.1021/ja01615a074

Reference yield:

L-methionine sulfoxide (3226-65-1,86631-49-4,779988-65-7) + 1-chloro-2,4-dinitro-benzene (97-00-7) → N-(2,4-dinitro-phenyl)-methionine S-oxide (1695-02-9)

Guidance literature:

upstream raw materials:

L-methionine sulfoxide

2,4-Dinitrofluorobenzene

1-chloro-2,4-dinitro-benzene