Account 4-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]benzoic acid
- Catalog No. :
- ACMUYY745
- CAS No. :
- 497243-86-4
- Molecular Formula :
- C20H20N2O2S
- Molecular Weight :
- 352.46
IUPAC Name:4-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid
![4-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]benzoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-[({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)methyl]benzoic acid |
|---|---|
| IUPAC Name | 4-(((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid |
| MDL No. | MFCD03300281 |
| Molecular Formula | C20H20N2O2S |
| Molecular Weight | 352.46 |
| SMILES | O=C(O)C1=CC=C(CSC2=C(C#N)C=C(CCCCCC3)C3=N2)C=C1 |
| InChI Key | JAYXHWXPWFDLAB-UHFFFAOYSA-N |
| Synonym | 4-{[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]methyl}benzoic acid;Benzoic acid, 4-[[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]methyl]-;4-(((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)methyl)benzoic acid |
| CAS No. | 497243-86-4 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACMUYY745 Molecular Building Block Synthetic Route
2-{[(pyridin-3-yl)methyl]sulfanyl}-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile
2-{[(3-chlorophenyl)methyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile
2-{[(3-methoxyphenyl)methyl]sulfanyl}-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile