ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE

Base Information

• Chemical Name: ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE
• CAS No.: 394655-17-5
• Molecular Formula: C₁₆H₁₅NO₃S
• Molecular Weight: 301.366
• Hs Code.: 2926909090
• Mol file: 394655-17-5.mol

Synonyms:A-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE;ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE;(3-METHOXYPHENYL)[(4-METHYLPHENYL)SULFONYL]ACETONITRILE;ALPHA-TOSYL-(3-METHOXYBENZYL) ISOCYANIDE;[1-(3-METHOXYPHENYL)-1-TOSYL]METHYL ISOCYANIDE;(3-Methoxyphenyl)[(4-methylphenyl)sulphonyl]acetonitrile;Isocyano(3-methoxyphenyl)methyl-4-methylphenyl sulphone;1-(Isocyano(tosyl)methyl)-3-methoxybenzene

Chemical Property of ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE

Chemical Property:

• Boiling Point: 302.2 °C at 760 mmHg
• Flash Point: 136.6 °C
• PSA: 51.75000
• Density: 1.35 g/cm³
• LogP: 3.70690
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

a-Tosyl-(3-methoxybenzyl) isocyanide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; C
• Hazard Codes: Xi,C

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE

There total 4 articles about ISOCYANO(3-METHOXYPHENYL)METHYL-4-METHYLPHENYL SULFONE 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:

N-[3-methoxyphenyl(toluene-4-sulfonyl)methyl]formamide (1006877-04-8) → α-(4-toluenesulfonyl)-3-methoxybenzylisocyanide (394655-17-5)

Guidance literature:

With triethylamine; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.11.102

Reference yield:

p-toluene sulfinic acid (536-57-2) → α-(4-toluenesulfonyl)-3-methoxybenzylisocyanide (394655-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃; triethylamine

With triethylamine; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.11.102

Reference yield:

sodium 4-methylbenzenesulfinate (824-79-3) → α-(4-toluenesulfonyl)-3-methoxybenzylisocyanide (394655-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water; tert-butyl methyl ether / 20 °C

2: acetonitrile; toluene / 16 h / 55 °C

3: trichlorophosphate; triethylamine / tetrahydrofuran / 0.5 h / 0 °C

With hydrogenchloride; triethylamine; trichlorophosphate; In tetrahydrofuran; tert-butyl methyl ether; water; toluene; acetonitrile;

DOI:10.1039/c9ob00660e

upstream raw materials:

N-[3-methoxyphenyl(toluene-4-sulfonyl)methyl]formamide

p-toluene sulfinic acid

3-methoxy-benzaldehyde

sodium 4-methylbenzenesulfinate

Refernces

• 1、 Antuch, Walfrido,Menon, Sanjay,Chen, Quin-Zene,Lu, Yingchun,Sakamuri, Sukumar,Beck, Barbara,Schauer-Vukasinovic, Vesna,Agarwal, Seema,Hess, Sibylle,Doemling, Alexander. "Design and modular parallel synthesis of a MCR derived α-helix mimetic protein-protein interaction inhibitor scaffold". . p. 1740 - 1743. Retrieved 2007/10/03.