Sodium 2-((1E,3Z,5E)-3-(3-(4-Carboxybutyl)phenyl)-5-(1,1-dimethyl-6,8-disulfonato-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonate → Sodium 2-((1E,3Z,5E)-3-(3-(4-Carboxybutyl)phenyl)-5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

HRID 449538Notes

Reaction equation

HRID 449538 reaction equation
[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:9]=[C:10](/C(=C\C=C2\N(CCCS([O-])(=O)=O)C3C=CC4C(S([O-])(=O)=O)=CC(S([O-])(=O)=O)=CC=4C=3C\2(C)C)/C=C/C2C(C)(C)C3C4C=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=4C=CC=3[N+]=2CCCS([O-])(=O)=O)[CH:11]=[CH:12][CH:13]=1)([OH:3])=[O:2].[Na+:79].[Na+].[Na+].[Na+].[Na+].Br/[C:85](=[CH:110]\[CH:111]=[C:112]1\[N:113]([CH2:127][CH2:128][CH2:129][S:130]([O-:133])(=[O:132])=[O:131])[C:114]2[C:119]([C:120]\1([CH3:122])[CH3:121])=[CH:118][C:117](S([O-])(=O)=O)=[CH:116][CH:115]=2)/[CH:86]=[CH:87]/[C:88]1[C:96]([CH3:98])([CH3:97])[C:95]2[C:90](=[CH:91][CH:92]=[C:93]([S:99]([O-:102])(=[O:101])=[O:100])[CH:94]=2)[N+:89]=1CCCS([O-])(=O)=O.[Na+].[Na+].[Na+]>>[C:1]([CH2:4][CH2:5][CH2:6][CH2:7][C:8]1[CH:13]=[C:12](/[C:85](=[CH:110]\[CH:111]=[C:112]2\[N:113]([CH2:127][CH2:128][CH2:129][S:130]([O-:133])(=[O:132])=[O:131])[C:114]3[C:119]([C:120]\2([CH3:121])[CH3:122])=[CH:118][C:117]([S:130]([O-:133])(=[O:132])=[O:131])=[CH:116][CH:115]=3)/[CH:86]=[CH:87]/[C:88]2[C:96]([CH3:98])([CH3:97])[C:95]3[C:90](=[CH:91][CH:92]=[C:93]([S:99]([O-:102])(=[O:101])=[O:100])[CH:94]=3)[N+:89]=2[CH2:91][CH2:92][CH2:93][S:99]([O-:102])(=[O:101])=[O:100])[CH:11]=[CH:10][CH:9]=1)([OH:3])=[O:2].[Na+:79].[Na+:79].[Na+:79]

Participants

3

Reactant 2

HCID 86649207Sodium 2-((1E,3Z,5E)-3-(3-(4-Carboxybutyl)phenyl)-5-(1,1-dimethyl-6,8-disulfonato-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indolium-6,8-disulfonateHCID 86649213Sodium 2-((1E,3Z,5E)-3-Bromo-5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

Product 1

HCID 49782696Sodium 2-((1E,3Z,5E)-3-(3-(4-Carboxybutyl)phenyl)-5-(3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indolin-2-ylidene)penta-1,3-dienyl)-3,3-dimethyl-1-(3-sulfonatopropyl)-3H-indolium-5-sulfonate

Procedure

Compound 14 was prepared analogously to compound 8 (Example 8), except that compound 13 was used as starting materials. UV/vis absorption max: λH2O=649 nm, ε=190,000; λMeOH=650 nm, ε=180,000; MS calculated (found) for (M+1)+935.21 (935.3).

Workup

  1. customUV/vis absorption max

Sources & evidence

ORD record
ord-5256086f71964044ba0f51782dff3663
Source dataset
uspto-grants-2013_07
Patent number
US08481752B2

Reaction notes

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