2-Nitro-N'-(propan-2-ylidene)benzenesulfonohydrazide

Base Information

• Chemical Name: 2-Nitro-N'-(propan-2-ylidene)benzenesulfonohydrazide
• CAS No.: 6655-27-2
• Molecular Formula: C9H11N3O4S
• Molecular Weight: 257.27
• Hs Code.: 29350090
• European Community (EC) Number: 678-577-9
• DSSTox Substance ID: DTXSID70474976
• Nikkaji Number: J2.455.358B
• Mol file: 6655-27-2.mol

Synonyms:6655-27-2;2-NITRO-N'-(PROPAN-2-YLIDENE)BENZENESULFONOHYDRAZIDE;2-nitro-N'-(propan-2-ylidene)benzenesulfono hydrazide;N-Isopropylidene-N'-2-nitrobenzenesulfonyl hydrazine;N'-Isopropylidene-2-nitrobenzenesulfonohydrazide;2-nitro-N-(propan-2-ylideneamino)benzenesulfonamide;2-Nitro-N-(propan-2-ylidene)benzenesulfono hydrazide;Benzenesulfonic acid, 2-nitro-, (1-methylethylidene)hydrazide;IPNBSH;2-Nitro-N'-(propan-2-ylidene)benzene-1-sulfonohydrazide;Acetone 2-nitrobenzenesulfonylhydrazone;2-(1-Methylethylidene)hydrazide-2-nitrobenzenesulfonic acid;N-Isopropylidene-N-2-Nitrobenzenesulfonohydrazide;SCHEMBL18686745;DTXSID70474976;AM9998;MFCD09800525;AKOS015841785;CS-W012549;AC-23819;AS-69309;FT-0630172;I0777;A835491;1-Isopropylidene-2-(2-nitrophenylsulfonyl)hydrazine;N-Isopropylidene-N'-2-nitrobenzenesulfonyl hydrazine, 97%;N-(isopropylideneamino)-2-nitro-benzenesulfonamide

Chemical Property of 2-Nitro-N'-(propan-2-ylidene)benzenesulfonohydrazide

Chemical Property:

• Melting Point: 131-135 °C
• Boiling Point: 421.267 °C at 760 mmHg
• PKA: 9.11±0.40(Predicted)
• Flash Point: 208.575 °C
• PSA: 112.73000
• Density: 1.411 g/cm³
• LogP: 3.26380
• Storage Temp.: <0°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 257.04702701
• Heavy Atom Count: 17
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

2-Nitro-N’-(propan-2-ylidene)benzenesulfonohydrazide ^*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: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
• Uses: IPNBSH A Reagent for the Simple Reduction of AlcoholsReactant for synthesis of: (-)-Acylfulvene and (-)-irofulven for use as antitumor agentsBicycloundecadienones and bicyclodecadienones via carbonylative cycloadditionMonoalkyldiazenes for allylic reductionReacts with di-Me phosphonate

Technology Process of 2-Nitro-N'-(propan-2-ylidene)benzenesulfonohydrazide

There total 2 articles about 2-Nitro-N'-(propan-2-ylidene)benzenesulfonohydrazide 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: 100.0%

2-nitrobenzenesulfonyl hydrazide (5906-99-0) + acetone (67-64-1) → N-isopropylidene-N’-2-nitrobenzenesulfonyl hydrazine (6655-27-2)

Guidance literature:

at 0 ℃; for 1h;

DOI:10.1002/anie.200602011

Reference yield:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → N-isopropylidene-N’-2-nitrobenzenesulfonyl hydrazine (6655-27-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / 100percent hydrazine hydrate

2: 59 percent / 1 M HCl / Ambient temperature

With hydrogenchloride; hydrazine hydrate;

DOI:10.1246/bcsj.58.377

Reference yield: 99.0%

N-isopropylidene-N’-2-nitrobenzenesulfonyl hydrazine (6655-27-2) → potassium 1-(2-nitrophenylsulfonyl)-2-(propan-2-ylidene)hydrazin-1-ide

Guidance literature:

With potassium hydride; In tetrahydrofuran; mineral oil; at 0 - 23 ℃; for 0.583333h; Inert atmosphere;

DOI:10.1002/anie.200802921

upstream raw materials:

2-nitrobenzenesulfonyl hydrazide

acetone

2-Nitrobenzenesulfonyl chloride

Downstream raw materials:

Dimethyl isopropylphosphonate

isopropyl-diphenyl-phosphine oxide

N-isopropylidene-N'-((2E,6E)-3,7,11-trimethyl-dodeca-2,6,10-trienyl)-N'-2-nitrobenzenesulfonyl hydrazide

8,10-bis(p-methoxybenzyl)-8,10-diaza-5-methylene-2-oxabicyclo<4.2.2>decane-7,9-dione