3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimeth yl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3 -dimethyl-, bromide

Base Information

• Chemical Name: 3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimeth yl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3 -dimethyl-, bromide
• CAS No.: 172971-76-5
• Molecular Formula: C42H52ClN2O4.Br
• Molecular Weight: 764.243
• Mol file: 172971-76-5.mol

Synonyms:

Chemical Property of 3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimeth yl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3 -dimethyl-, bromide

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimeth yl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3 -dimethyl-, bromide

There total 8 articles about 3H-Indolium, 1-(5-carboxypentyl)-2-[2-[3-[[1-(5-carboxypentyl)-1,3-dihydro-3,3-dimeth yl-2H-indol-2-ylidene]ethylidene]-2-chloro-1-cyclohexen-1-yl]ethenyl]-3,3 -dimethyl-, bromide 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: 81.2%

1-(5-carboxypentyl)-2,3,3-trimethylindoleninium bromide + 2-chloro-1-formyl-3-hydroxymethylenecyclohexene (61010-04-6) → chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(5-carboxypentyl)-2H-indol-2-ylidene]-ethylidene]-[[1-cyclo-1-yl]-ethenyl]-3,3-dimethyl-1-(5-carboxypentyl)-3H-indolum bromide (172971-76-5)

Guidance literature:

With sodium acetate; acetic anhydride; at 60 ℃;

Reference yield: 70.0%

1-(5-carboxypentyl)-2,3,3-trimethylindoleninium bromide + ((E)-2-chloro-3-(hydroxymethylene)cyclohexene-1-ene-1-carbaldehyde) → chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(5-carboxypentyl)-2H-indol-2-ylidene]-ethylidene]-[[1-cyclo-1-yl]-ethenyl]-3,3-dimethyl-1-(5-carboxypentyl)-3H-indolum bromide (172971-76-5)

Guidance literature:

With sodium acetate; acetic anhydride; at 70 ℃; for 0.666667h;

DOI:10.1016/j.jconrel.2018.04.038

Reference yield: 30.0%

1-(5-carboxypentyl)-2,3,3-trimethylindoleninium bromide + N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride (63857-00-1,70446-42-3) → chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(methylhexanoate)-2H-indol-2-ylidene]-ethylidene]-[[1-cyclo-1-yl]-ethenyl]-3,3-dimethyl-1-(5-carboxypentyl)-3H-indolum bromide (1357287-34-3) + chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(methylhexanoate)-2H-indol-2-ylidene]-ethylidene]-[[1-cyclo-1-yl]-ethenyl]-3,3-dimethyl-1-(methylhexanoate)-3H-indolum bromide (1351459-84-1) + chloro-3-[2-[1,3-dihydro-3,3-dimethyl-1-(5-carboxypentyl)-2H-indol-2-ylidene]-ethylidene]-[[1-cyclo-1-yl]-ethenyl]-3,3-dimethyl-1-(5-carboxypentyl)-3H-indolum bromide (172971-76-5)

Guidance literature:

1-(5-carboxypentyl)-2,3,3-trimethylindoleninium bromide; N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride; With sodium acetate; In acetic anhydride; at 90 ℃; for 3h; Inert atmosphere;

In methanol; for 0.166667h;

DOI:10.1016/j.bmcl.2011.11.070

upstream raw materials:

N-[(3-(anilinomethylene)-2-chloro-1-cyclohexen-1-yl)methylene]aniline hydrochloride

2,3,3-trimethylindoleniune

6-bromohexanoic acid

2-chloro-1-formyl-3-hydroxymethylenecyclohexene