Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate

Base Information

• Chemical Name: Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate
• CAS No.: 68444-12-2
• Deprecated CAS: 91746-77-9,856572-12-8
• Molecular Formula: C7H7NO6S.Na
• Molecular Weight: 255.184
• European Community (EC) Number: 270-584-1
• DSSTox Substance ID: DTXSID30887265
• Mol file: 68444-12-2.mol

Synonyms:68444-12-2;Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate;m-Nitrobenzaldehyde bisulfite, monosodium salt;EINECS 270-584-1;DTXSID30887265;Benzenemethanesulfonic acid, .alpha.-hydroxy-3-nitro-, monosodium salt;Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, monosodium salt;Benzenemethanesulfonic acid, alpha-hydroxy-3-nitro-, sodium salt (1:1);sodium;hydroxy-(3-nitrophenyl)methanesulfonate;Benzenemethanesulfonic acid, .alpha.-hydroxy-3-nitro-, sodium salt (1:1)

Chemical Property of Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate

Chemical Property:

• PSA: 131.63000
• LogP: 1.73490
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 254.98135237
• Heavy Atom Count: 16
• Complexity: 315

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate

There total 1 articles about Sodium alpha-hydroxy-m-nitrotoluene-alpha-sulphonate 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:

3-nitro-benzaldehyde (99-61-6) → sodium α-hydroxy-m-nitrotoluene-α-sulphonate (68444-12-2)

Guidance literature:

With sodium disulfite; In ethanol; water;

DOI:10.1016/j.ejmech.2008.06.026

Reference yield: 96.0%

Hippuric Acid (495-69-2,140480-84-8,21251-67-2,91787-63-2,66407-11-2) + sodium α-hydroxy-m-nitrotoluene-α-sulphonate (68444-12-2) → 4-(3'-nitrobenzylidene)-2-phenyl-4-oxazolone (15601-45-3,66949-11-9,123990-32-9)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 0.25h; Heating;

DOI:10.1002/jhet.5570450308

Reference yield: 92.0%

malonic acid (141-82-2) + sodium α-hydroxy-m-nitrotoluene-α-sulphonate (68444-12-2) → (E)-3-Nitrocinnamic acid (555-68-0,1772-76-5)

Guidance literature:

With piperazine; In ethylene glycol; for 0.125h; microwave irradiation;

upstream raw materials:

3-nitro-benzaldehyde

Downstream raw materials:

2-(3-nitrophenyl)-3,3,4-tricyano-5-amino-2,3-dihydrofuran

3-nitro-benzaldehyde

(E)-3-Nitrocinnamic acid

trimethyl(3-nitrobenzyloxy)silane

Refernces

• 1、 Abdul Rahim, Aisyah Saad,Muhamad Salhimi, Salizawati,Arumugam, Natarajan,Pin, Lim Chung,Yee, Ng Shy,Muttiah, Nithya Niranjini,Keat, Wong Boon,Abd. Hamid, Shafida,Osman, Hasnah,Mat, Ishak B.. "Microwave-assisted synthesis of sec/tert-butyl 2-arylbenzimidazoles and their unexpected antiproliferative activity towards ER negative breast cancer cells". . p. 1255 - 1260. Retrieved 2013/12/04.