5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene

Base Information

Chemical Name:5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene
CAS No.:324519-54-2
Molecular Formula:C18H19NO5S
Molecular Weight:361.419
Hs Code.:2926909090
DSSTox Substance ID:DTXSID30378027
Mol file:324519-54-2.mol

Synonyms:324519-54-2;5-[isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene;5-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2,3-trimethoxybenzene;5-[Isocyano-(toluene-4-sulfonyl)-methyl]-1,2,3-trimethoxy-benzene;MFCD06245397;5-[isocyano[(4-methylphenyl)sulfonyl]methyl]-1,2,3-trimethoxybenzene;5-[Isocyano-(4-methylphenyl)sulphonyl)]-1,2,3-trimethoxymethylbenzene;PENICILLICACID;A5815;DTXSID30378027;TQP0895;WNPVZANXRCPJPW-UHFFFAOYSA-N;AKOS005257372;GS-0337;FT-0604135;?-Tosyl-(3,4,5-trimethoxylbenzyl)isocyanide;3,4,5-trimethoxyphenyl(tosyl)methyl isocyanide;5-(Isocyano(tosyl)methyl)-1,2,3-trimethoxybenzene;5-[Isocyano-(toluene-4-sulfonyl)-methyl]-1,2,3-trimethoxybenzene;5-[Isocyano(4-methylbenzene-1-sulfonyl)methyl]-1,2,3-trimethoxybenzene

Suppliers and Price of 5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
5-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-1,2,3-TRIMETHOXY-BENZENE 95.00%
500MG
$ 891.85

Total 13 raw suppliers

Chemical Property of 5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene

Chemical Property:

PSA：70.21000
LogP:3.72410
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:361.09839388
Heavy Atom Count:25
Complexity:556

Purity/Quality:

97% ^*data from raw suppliers

5-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-1,2,3-TRIMETHOXY-BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene

There total 5 articles about 5-[Isocyano(4-methylbenzenesulfonyl)methyl]-1,2,3-trimethoxybenzene 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: 75.5%

: 324519-53-1
N-{[(4-methylphenyl)sulfonyl](3,4,5-trimethoxyphenyl)methyl}formamide

: 324519-54-2
5-{isocyano[(4-methylphenyl)sulfonyl]methyl}-1,2,3-trimethoxybenzene

Guidance literature:: With triethylamine; trichlorophosphate; In 1,2-dimethoxyethane; at -10 - -5 ℃; for 2h;

Reference yield:

: 536-57-2
p-toluene sulfinic acid

: 324519-54-2
5-{isocyano[(4-methylphenyl)sulfonyl]methyl}-1,2,3-trimethoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / 10-camphorsulfonic acid / 16 h / 65 °C

2: 69 percent / POCl₃; Et₃N / 1,2-dimethoxy-ethane / 3 h / -5 °C

With (1S)-10-camphorsulfonic acid; triethylamine; trichlorophosphate; In 1,2-dimethoxyethane;
DOI:10.1021/jm010523x

Reference yield:

: 86-81-7
3,4,5-trimethoxy-benzaldehyde

: 324519-54-2
5-{isocyano[(4-methylphenyl)sulfonyl]methyl}-1,2,3-trimethoxybenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / 10-camphorsulfonic acid / 16 h / 65 °C

2: 69 percent / POCl₃; Et₃N / 1,2-dimethoxy-ethane / 3 h / -5 °C

With (1S)-10-camphorsulfonic acid; triethylamine; trichlorophosphate; In 1,2-dimethoxyethane;
DOI:10.1021/jm010523x