N-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-YL)-4-methylbenzene-1-sulfonamide

Base Information

Chemical Name:N-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-YL)-4-methylbenzene-1-sulfonamide
CAS No.:86996-27-2
Molecular Formula:C₂₃H₃₁NO₈S
Molecular Weight:481.567
Hs Code.:
DSSTox Substance ID:DTXSID401107780

Synonyms:N-(2,3,5,6,8,9,11,12,14,15-DECAHYDRO-1,4,7,10,13,16-BENZOHEXAOXACYCLOOCTADECIN-18-YL)-4-METHYLBENZENE-1-SULFONAMIDE;DTXSID401107780;MFCD00807753;AKOS001569919;EU-0034667;SR-01000399387;SR-01000399387-1;86996-27-2;N-(2,3,5,6,8,9,11,12,14,15-DECAHYDRO-1,4,7,10,13,16-BENZOHEXAOXACYCLOOCTADECIN-18-YL)-4-METHYLBENZENESULFONAMIDE

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

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Chemical Property of N-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-YL)-4-methylbenzene-1-sulfonamide

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:481.17703812
Heavy Atom Count:33
Complexity:620

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)OCCOCCOCCOCCOCCO3

Technology Process of N-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-YL)-4-methylbenzene-1-sulfonamide

There total 1 articles about N-(2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin-18-YL)-4-methylbenzene-1-sulfonamide 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: 83.8%

: 68941-06-0
4-aminobenzo-18-crown-6

: 98-59-9
p-toluenesulfonyl chloride

: 86996-27-2
4'-tosylaminobenzo-18-crown-6

Guidance literature:: With triethylamine;
DOI:10.1021/ja00318a041

Reference yield: 48.4%

: 86996-27-2
4'-tosylaminobenzo-18-crown-6

: 77-78-1
dimethyl sulfate

: 86996-28-3
4'-(N-methyl-N-tosylamino)benzo-18-crown-6

Guidance literature:: With sodium hydroxide; In water; at 40 ℃; for 5h;
DOI:10.1021/ja00318a041

Reference yield:

: 86996-27-2
4'-tosylaminobenzo-18-crown-6

: 86996-29-4
4'-(N-methyl-N-tosylamino)-5'-nitrobenzo-18-crown-6

Guidance literature:: Multi-step reaction with 2 steps

1: 48.4 percent / NaOH / H₂O / 5 h / 40 °C

2: 86.7 percent / 70percent nitric acid / CHCl₃; acetic acid / 24 h / Ambient temperature

With sodium hydroxide; nitric acid; In chloroform; water; acetic acid;
DOI:10.1021/ja00318a041