2,4-Dichloro-1-(isocyano(tosyl)methyl)benzene

Base Information

• Chemical Name: 2,4-Dichloro-1-(isocyano(tosyl)methyl)benzene
• CAS No.: 952727-77-4
• Molecular Formula: C15H11 Cl2 N O2 S
• Molecular Weight: 340.22400
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10378065
• Mol file: 952727-77-4.mol

Synonyms:952727-77-4;a-Tosyl-(2,4-dichlorobenzyl) isocyanide;2,4-DICHLORO-1-(ISOCYANO(TOSYL)METHYL)BENZENE;2,4-dichloro-1-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene;MFCD04114807;1-(2,4-DICHLOROPHENYL)-1-TOSYLMETHYL ISOCYANIDE;(2,4-dichlorophenyl)(isocyano)methyl 4-methylphenyl sulfone;2,4-DICHLORO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE;SCHEMBL3084291;DTXSID10378065;BBL021408;STK894121;AKOS005144578;AB19035;AS-40491;FT-0694142;ALPHA-TOSYL-(2,4-DICHLOROBENZYL) ISOCYANIDE;2,4-Dichloro-1-[isocyano(toluene-4-sulphonyl)]methylbenzene;2,4-Dichloro-1-[isocyano-(toluene-4-sulfonyl)methyl]benzene;2,4-Dichloro-1-[isocyano(4-methylbenzene-1-sulfonyl)methyl]benzene;BENZENE,2,4-DICHLORO-1-[ISOCYANO[(4-METHYLPHENYL)SULFONYL]METHYL]-

Chemical Property of 2,4-Dichloro-1-(isocyano(tosyl)methyl)benzene

Chemical Property:

• PSA: 42.52000
• LogP: 5.00510
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 338.9887552
• Heavy Atom Count: 21
• Complexity: 500

Purity/Quality:

98%min ^*data from raw suppliers

a-Tosyl-(2,4-dichlorobenzyl) isocyanide 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(C=C(C=C2)Cl)Cl)[N+]#[C-]

Technology Process of 2,4-Dichloro-1-(isocyano(tosyl)methyl)benzene

There total 3 articles about 2,4-Dichloro-1-(isocyano(tosyl)methyl)benzene 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-[(2,4-dichloro-phenyl)-(toluene-4-sulfonyl)-methyl]-formamide → 2,4-dichloro-1-(isocyano(tosyl)methyl)benzene (952727-77-4)

Guidance literature:

With triethylamine; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.11.102

Reference yield:

p-toluene sulfinic acid (536-57-2) → 2,4-dichloro-1-(isocyano(tosyl)methyl)benzene (952727-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃; triethylamine

With triethylamine; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.11.102

Reference yield:

2,4-dichlorobenzaldeyhde (874-42-0) → 2,4-dichloro-1-(isocyano(tosyl)methyl)benzene (952727-77-4)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃; triethylamine

With triethylamine; trichlorophosphate;

DOI:10.1016/j.bmcl.2005.11.102

upstream raw materials:

p-toluene sulfinic acid

2,4-dichlorobenzaldeyhde

Refernces