Sodium (4-nitrophenyl)methanesulfonate

Base Information

• Chemical Name: Sodium (4-nitrophenyl)methanesulfonate
• CAS No.: 36639-50-6
• Molecular Formula: C7H7NO5S.Na
• Molecular Weight: 239.184
• Hs Code.: 2904909090
• European Community (EC) Number: 609-277-8
• DSSTox Substance ID: DTXSID80415653
• Mol file: 36639-50-6.mol

Synonyms:sodium (4-nitrophenyl)methanesulfonate;36639-50-6;sodium;(4-nitrophenyl)methanesulfonate;C7H6NNaO5S;4-Nitrobenzenemethanesulfonic acid sodium salt;ghl.PD_Mitscher_leg0.468;sodium 4-nitrobenzyl sulfonate;sodium 4-nitrobenzylsulphonate;SCHEMBL1425399;sodium 4-nitrobenzyl sulphonate;DTXSID80415653;SXZUSZBEGNFCDZ-UHFFFAOYSA-M;MFCD02334757;Sodium(4-nitrophenyl)methanesulfonate;AKOS003266839;AKOS016005515;sodium (4-nitrophenyl)-methanesulfonate;AS-66927;CS-0088831;F19912;Hydridosodium(II) (4-nitrophenyl)methanesulfonate hydride

Chemical Property of Sodium (4-nitrophenyl)methanesulfonate

Chemical Property:

• PSA: 111.40000
• LogP: 2.24400
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.98643775
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

99.9% ^*data from raw suppliers

Sodium (4-nitrophenyl)methanesulfonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Technology Process of Sodium (4-nitrophenyl)methanesulfonate

There total 4 articles about Sodium (4-nitrophenyl)methanesulfonate 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: 94.0%

4-nitrobenzyl chloride (100-14-1) → Sodium 4-nitrobenzylsulphonate (36639-50-6)

Guidance literature:

With sodium sulfite; In water; for 24h; Reflux;

DOI:10.1039/c4cc09502b

Reference yield:

→ Sodium 4-nitrobenzylsulphonate (36639-50-6)

Guidance literature:

With sodium sulfite; In water;

DOI:10.1002/jhet.5570230620

Reference yield:

1-bromomethyl-4-nitro-benzene (100-11-8) → Sodium 4-nitrobenzylsulphonate (36639-50-6)

Guidance literature:

With sodium sulfite;

DOI:10.1021/ol048249z

upstream raw materials:

1-bromomethyl-4-nitro-benzene

4-nitrobenzyl chloride

Downstream raw materials:

(4-aminophenyl)methanesulfonic acid

4-Amino-N,N-dimethylbenzenemethanesulphonamide

N,N-dimethyl-4-nitrobenzenemethanesulphonamide

(4-nitrophenyl)methanesulfonyl chloride

Refernces

• 1、 Cowper, Ben,Sze, Tsz Mei,Premdjee, Bhavesh,Bongat White, Aileen F.,Hacking, Andrew,Macmillan, Derek. "Examination of mercaptobenzyl sulfonates as catalysts for native chemical ligation: Application to the assembly of a glycosylated Glucagon-Like Peptide 1 (GLP-1) analogue". supporting information. p. 3208 - 3210. Retrieved 2015/06/30.
• 2、 -. "PREPARATION AND UTILITY OF SUBSTITUTED INDOLES". Page/Page column 38. . Retrieved 2008/06/13.