1,2-Benzenedithiol → HCID 178450664, compound

HRID 1056474Notes

Reaction equation

HRID 1056474 reaction equation
[C:1]([O:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]2([Ti:20](Cl)(Cl)[C:21]3([CH3:30])[C:25]([CH3:26])=[C:24]([CH3:27])[C:23]([CH3:28])=[C:22]3[CH3:29])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:10][CH:9]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:33]1([SH:40])[C:34]([SH:39])=[CH:35][CH:36]=[CH:37][CH:38]=1>>[CH3:26][C:25]1[C:21]([Ti+3:20])([CH3:30])[C:22]([CH3:29])=[C:23]([CH3:28])[C:24]=1[CH3:27].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[C:1]([O:5][C:6]([C:8]1[CH:9]=[CH:10][C:11]([CH2:14][C:15]2([C:38]3[CH:37]=[CH:36][CH:35]=[C:34]([S-:39])[C:33]=3[S-:40])[CH:19]=[CH:18][CH:17]=[CH:16]2)=[CH:12][CH:13]=1)=[O:7])([CH3:2])([CH3:3])[CH3:4].[CH3:26][C:25]1[C:21]([Ti+3:20])([CH3:30])[C:22]([CH3:29])=[C:23]([CH3:28])[C:24]=1[CH3:27]

Participants

3

Reactant 2

HCID 693701,2-BenzenedithiolHCID 178425992HCID 178425992, compound

Product 1

HCID 178450664HCID 178450664, compound

Procedure

The reaction was performed as described in Example 1, step 4, starting from ({[4-(tert-butoxycarbonyl)phenyl]methyl}cyclopentadienyl)dichloro(pentamethylcyclopentadienyl)titanium; i.e. reaction of the alkylated titanocene dichloride with benzenedithiol.

Sources & evidence

ORD record
ord-48d002ccd20447f2bce46e7f3b4dda92
Source dataset
uspto-grants-2016_07
Patent number
US09399077B2

Reaction notes

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