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193687-61-5

Basic Information
CAS No.: 193687-61-5
Name: 2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
Article Data: 1
Molecular Structure:
Molecular Structure of 193687-61-5 (2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium)
Formula: C25H22ClN2S2+
Molecular Weight: 641.274
Synonyms: 2-[2-[2-Chloro-3-[2-(3-methyl-3H-benzthiazol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-methyl-benzthiazolium
PSA: 71.83000
LogP: 9.77710
Synthetic route
121276-93-5

2-formyl-5-hydroxylyden-1-chlorocyclopenten

118-12-7

1,3,3-Trimethyl-2-methyleneindoline

104-15-4

toluene-4-sulfonic acid

193687-61-5

C7H7O3S(1-)*C31H34ClN2(1+)

Conditions
ConditionsYield
With sodium acetate; acetic anhydride for 1h; Heating / reflux;

C32H37ClN2O

104-15-4

toluene-4-sulfonic acid

193687-61-5

C7H7O3S(1-)*C31H34ClN2(1+)

Conditions
ConditionsYield
Stage #1: C32H37ClN2O; toluene-4-sulfonic acid In acetone at 25 - 30℃; for 1h;
Stage #2: In ethyl acetate; acetone at 50 - 55℃; for 1h;
Stage #1: C32H37ClN2O; toluene-4-sulfonic acid In methanol at 25 - 30℃; for 1h;
Stage #2: In methanol; water at 25 - 30℃; for 1h;
Stage #1: C32H37ClN2O; toluene-4-sulfonic acid In methanol; acetone at 25 - 30℃; for 1h;
Stage #2: In methanol; ethyl acetate; acetone at 50 - 55℃; for 1h; Product distribution / selectivity;
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