2-Hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile

Base Information

• Chemical Name: 2-Hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile
• CAS No.: 175201-58-8
• Molecular Formula: C₉H₈N₂O₃S
• Molecular Weight: 224.24
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10380986
• Mol file: 175201-58-8.mol

Synonyms:2-hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile;175201-58-8;2-hydroxyimino-2-[(4-methylphenyl)sulfonyl]acetonitrile;Maybridge1_004544;SCHEMBL10971109;DTXSID10380986;FT-0612613;(4-methylbenzenesulfonyl)methanecarbonimidoyl cyanide

Chemical Property of 2-Hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile

Chemical Property:

• Vapor Pressure: 1.02E-07mmHg at 25°C
• Boiling Point: 417.5oC at 760 mmHg
• Flash Point: 206.3oC
• PSA: 98.90000
• Density: 1.34g/cm3
• LogP: 2.16078
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.02556330
• Heavy Atom Count: 15
• Complexity: 391

Purity/Quality:

98%min ^*data from raw suppliers

2-HYDROXYIMINO-2-[(4-METHYLPHENYL)SULFONYL]ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(=NO)C#N

Technology Process of 2-Hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile

There total 3 articles about 2-Hydroxyimino-2-(4-methylphenyl)sulfonylacetonitrile 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: 92.0%

p-tolylsulfonylmethyl isocyanide (5697-44-9) → C9H8N2O3S (175201-58-8)

Guidance literature:

With sodium ethanolate; isopentyl nitrite; In ethanol; at 20 ℃; for 24h;

DOI:10.1016/j.tet.2013.09.051

Reference yield:

p-tolylsulfonylmethyl isocyanide (5697-44-9) + isopentyl nitrite (110-46-3) → hydroxyimino-(toluene-4-sulfonyl)-acetonitrile (175201-58-8)

Guidance literature:

With sodium ethanolate;

Reference yield:

p-tolylsulfonylmethyl isocyanide (5697-44-9) + sodium ethanolate (141-52-6) + isopentyl nitrite (110-46-3) → hydroxyimino-(toluene-4-sulfonyl)-acetonitrile (175201-58-8)

Guidance literature:

upstream raw materials:

p-tolylsulfonylmethyl isocyanide

sodium ethanolate

isopentyl nitrite

Downstream raw materials:

N-methoxy-1-tosylmethanimidoyl cyanide

Refernces