Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide

Base Information

• Chemical Name: Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide
• CAS No.: 1835-71-8
• Molecular Formula: C14H12N2O4S
• Molecular Weight: 304.326
• NSC Number: 43066
• DSSTox Substance ID: DTXSID90171430
• Wikidata: Q83041509
• ChEMBL ID: CHEMBL1904933
• Mol file: 1835-71-8.mol

Synonyms:1835-71-8;Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide;NSC43066;NSC 43066;MLS002608499;1-nitro-4-[(4-nitrophenyl)methylsulfanylmethyl]benzene;4-nitrobenzyl sulfide;SCHEMBL1035377;CHEMBL1904933;DTXSID90171430;HMS3078A08;NSC-43066;SMR001527246;Benzene, 1,1'-[thiobis(methylene)]bis[4-nitro-

Chemical Property of Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide

Chemical Property:

• Boiling Point: 495.3°Cat760mmHg
• Flash Point: 253.4°C
• Density: 1.379g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 304.05177804
• Heavy Atom Count: 21
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide

There total 16 articles about Hydroxy(4-(((4-(hydroxy(oxido)amino)benzyl)thio)methyl)phenyl)azane oxide 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%

→ bis(4-nitrobenzyl) sulfide (1835-71-8)

Guidance literature:

Reference yield: 88.0%

4-nitrobenzyl chloride (619-73-8) → bis(4-nitrobenzyl) sulfide (1835-71-8)

Guidance literature:

With sodium sulfide; Amberlite-IRA-400(Cl); In methanol; for 1.5h; Heating;

DOI:10.1021/jo050574s

Reference yield:

1-benzyl-2-(4-nitrobenzyl)disulfane (66138-10-1) → bis(4-nitrobenzyl) sulfide (1835-71-8)

Guidance literature:

With hexaethylphosphoric triamide; In benzene; Ambient temperature;

DOI:10.1021/ja00739a014

upstream raw materials:

4-nitrobenzyl iodide

benzyl-(4-nitro-benzyl)-sulfide

4-nitrobenzyl chloride

acetic acid

Downstream raw materials:

bis(p-nitrobenzyl) sulfone

bis-(4-amino-benzyl)-sulfide

bis(p-nitrobenzyl) sulfoxide

α-Chlor-4-nitrobenzyl-4-nitrobenzylsulfon