3-(4-Hydroxybutoxy)phenylboronic acid → HCID 86649239, compound

HRID 449548Notes

Reaction equation

C(CO[C:6]1[CH:7]=[C:8](/[C:13](=[CH:46]\[CH:47]=[C:48]2\[N:49]([CH2:71][CH2:72][CH2:73][S:74]([O-:77])(=[O:76])=[O:75])[C:50]3[CH:51]=[CH:52][C:53]4[C:62](S([O-])(=O)=O)=[CH:61][C:60](S([O-])(=O)=O)=[CH:59][C:54]=4[C:55]=3[C:56]\2([CH3:58])[CH3:57])/[CH:14]=[CH:15]/[C:16]2[C:24]([CH3:26])([CH3:25])[C:23]3[C:22]4[CH:27]=[C:28](S([O-])(=O)=O)[CH:29]=[C:30](S([O-])(=O)=O)[C:21]=4[CH:20]=[CH:19][C:18]=3[N+:17]=2[CH2:39][CH2:40][CH2:41][S:42]([O-:45])(=[O:44])=[O:43])[CH:9]=[C:10](F)[CH:11]=1)(O)=O.[Na+:78].[Na+].[Na+].[Na+].[Na+].Br/C(=C\C=C1\N(CCCS([O-])(=O)=O)C2C=CC3C=CC=CC=3C=2C\1(C)C)/C=C/C1C(C)(C)C2C3C=CC=CC=3C=CC=2[N+]=1CCCS([O-])(=O)=O.[Na+].[OH:134][CH2:135][CH2:136][CH2:137][CH2:138][O:139]C1C=C(B(O)O)C=CC=1>>[CH3:58][C:56]1([CH3:57])[C:55]2[C:54]3[CH:59]=[CH:60][CH:61]=[CH:62][C:53]=3[CH:52]=[CH:51][C:50]=2[N:49]([CH2:71][CH2:72][CH2:73][S:74]([O-:77])(=[O:75])=[O:76])/[C:48]/1=[CH:47]/[CH:46]=[C:13](\[C:8]1[CH:7]=[CH:6][CH:11]=[C:10]([O:134][CH2:135][CH2:136][CH2:137][CH2:138][OH:139])[CH:9]=1)/[CH:14]=[CH:15]/[C:16]1[C:24]([CH3:25])([CH3:26])[C:23]2[C:22]3[CH:27]=[CH:28][CH:29]=[CH:30][C:21]=3[CH:20]=[CH:19][C:18]=2[N+:17]=1[CH2:39][CH2:40][CH2:41][S:42]([O-:45])(=[O:43])=[O:44].[Na+:78]

Participants

Reactant 3

HCID 596235293-(4-Hydroxybutoxy)phenylboronic acid

HCID 86649227Sodium 2-((1E,3Z,5E)-3-(3-(Carboxymethoxy)-5-fluorophenyl)-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

HCID 86649241sodium 3-(2-((1E,3Z,5E)-3-bromo-5-(1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-1H-benzo[e]indolium-3-yl)propane-1-sulfonate

Product 1

HCID 86649239HCID 86649239, compound

Procedure

Compound 40 is prepared analogously to compounds 16 and 29, except with sodium 3-(2-((1E,3Z,5E)-3-bromo-5-(1,1-dimethyl-3-(3-sulfonatopropyl)-1H-benzo[e]indol-2(3H)-ylidene)penta-1,3-dienyl)-1,1-dimethyl-1H-benzo[e]indolium-3-yl)propane-1-sulfonate and 3-(4-hydroxybutoxy)phenylboronic acid as starting materials.

Sources & evidence

ORD record: ord-9850e28ca11a425784b399d977eaa59d
Source dataset: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
Patent number: US08481752B2

Reaction notes

Loading…