Introduction：Basic information about 3-(4-Chlorbutyl)-1H-indol-5-carbonitril CAS 143612-79-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
3-(4-Chlorbutyl)-1H-indol-5-carbonitril Basic information
| Product Name: | 3-(4-Chlorbutyl)-1H-indol-5-carbonitril |
| Synonyms: | 3-(4-Chlorobutyl)indole-5-carbonitrile;3-(4-Chlorbutyl)-1H-indol-5-carbonitril;Vilazodone Hydrochloride Intermediate;Chlorobutyl)indole-5-carbonitrile, 3-(4-;1H-Indole-5-carbonitrile, 3-(4-chlorobutyl)-;InterMediate of Vilazodone;3-(4-Chlorbutyl)-1H-indol-5-carbonitrile;3-(4-chloro-butyl)-5-cyanoindole |
| CAS: | 143612-79-7 |
| MF: | C13H13ClN2 |
| MW: | 232.71 |
| EINECS: | 801-938-0 |
| Product Categories: | Aromatics;Heterocycles;Intermediates;Inhibitors |
| Mol File: | 143612-79-7.mol |
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3-(4-Chlorbutyl)-1H-indol-5-carbonitril Chemical Properties
| Melting point | 99-100℃ |
| Boiling point | 448.1±35.0 °C(Predicted) |
| density | 1.22 |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | Chloroform (Slightly, Ethyl Acetate (Slightly) |
| form | Solid |
| pka | 15.93±0.30(Predicted) |
| color | Off-White to Pale Beige |
| InChI | InChI=1S/C13H13ClN2/c14-6-2-1-3-11-9-16-13-5-4-10(8-15)7-12(11)13/h4-5,7,9,16H,1-3,6H2 |
| InChIKey | NJJWMEJWFYRORL-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(C#N)C=C2)C(CCCCCl)=C1 |
| CAS DataBase Reference | 143612-79-7 |
Safety Information
3-(4-Chlorbutyl)-1H-indol-5-carbonitril Usage And Synthesis
| Uses | Reactant in the preparation of allosteric IGF-1R inhibitors, and dual 5-HT1A receptor agonists and serotonin reuptake inhibitors. |
3-(4-Chlorbutyl)-1H-indol-5-carbonitril Preparation Products And Raw materials
| Raw materials | Benzonitrile, 4-[(2E)-2-(6-chlorohexylidene)hydrazinyl]--->Hexane, 6-chloro-1,1-dimethoxy--->6-CHLOROHEXANAL-->4-Cyanophenylhydrazine hydrochloride-->5-Cyanoindole-->3-(4-chlorobutyl)-1-tosyl-1H-indole-5-carbonitrile-->3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile-->6-CHLOROHEXYLZINC BROMIDE-->Benzenediazonium, 4-cyano-, tetrafluoroborate(1-)-->Trimethoxymethane-->1-Bromo-4-chlorobutane-->N,N-Dimethylformamide dimethyl acetal |
| Preparation Products | 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-Benzofurancarboxylic acid |
