(4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile

Base Information

• Chemical Name: (4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile
• CAS No.: 82424-53-1
• Molecular Formula: C₁₆H₁₄N₂O₄S
• Molecular Weight: 330.364
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID30694153
• Mol file: 82424-53-1.mol

Synonyms:DTXSID30694153;(4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile

Chemical Property of (4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Boiling Point: 369.7°C at 760 mmHg
• Flash Point: 177.4°C
• PSA: 97.13000
• Density: 1.155g/cm³
• LogP: 3.71758
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 330.06742811
• Heavy Atom Count: 23
• Complexity: 557

Purity/Quality:

95% ^*data from raw suppliers

KH001721:(Z,E)-2-(TOSYLHYDROXYIMINO)-2-(4-METHOXYPHENYL)ACETONITRILE 99 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)ON=C(C#N)C2=CC=C(C=C2)OC

Technology Process of (4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile

There total 2 articles about (4-Methoxyphenyl){[(4-methylbenzene-1-sulfonyl)oxy]imino}acetonitrile 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:

p-methoxybenzylnitrile (104-47-2) → -2-(4-methoxyphenyl)-2-[(4-methylphenylsulfonyl)oxyimino]acetonitrile (82424-53-1)

Guidance literature:

Multi-step reaction with 2 steps

1: isopentyl nitrite; sodium methylate / methanol / 1 h / 5 °C

2: N,N-dimethyl-formamide / 0.25 h / 75 °C

With sodium methylate; isopentyl nitrite; In methanol; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2016.09.075

Reference yield:

p-toluenesulfonyl chloride (98-59-9) + C9H7N2O2(1-)*Na(1+) → -2-(4-methoxyphenyl)-2-[(4-methylphenylsulfonyl)oxyimino]acetonitrile (82424-53-1)

Guidance literature:

In N,N-dimethyl-formamide; at 75 ℃; for 0.25h;

DOI:10.1016/j.ejmech.2016.09.075

Reference yield:

-2-(4-methoxyphenyl)-2-[(4-methylphenylsulfonyl)oxyimino]acetonitrile (82424-53-1) → C10H10N2OS*ClH

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / methanol / 4 h / 20 °C

2: hydrogenchloride / 6 h / Reflux

3: hydrogenchloride / 6 h / Reflux

With hydrogenchloride; triethylamine; In methanol;

DOI:10.1016/j.ejmech.2016.09.075

upstream raw materials:

p-toluenesulfonyl chloride

p-methoxybenzylnitrile

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