Account 4-({[3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}methyl)benzoic acid
- Catalog No. :
- ACMXMK302
- CAS No. :
- 664994-28-9
- Molecular Formula :
- C21H19F3N2O2S
- Molecular Weight :
- 420.46
IUPAC Name:4-(((3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)methyl)benzoic acid
![4-({[3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}methyl)benzoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 4-({[3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}methyl)benzoic acid |
|---|---|
| IUPAC Name | 4-(((3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)methyl)benzoic acid |
| MDL No. | MFCD03863290 |
| Molecular Formula | C21H19F3N2O2S |
| Molecular Weight | 420.46 |
| SMILES | O=C(O)C1=CC=C(CSC2=NC3=C(CC(CC)CC3)C(C(F)(F)F)=C2C#N)C=C1 |
| InChI Key | BPQNPTIDRDWMJC-UHFFFAOYSA-N |
| Synonym | 4-({[3-cyano-6-ethyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}methyl)benzoic acid |
| CAS No. | 664994-28-9 |
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. ACMXMK302 Molecular Building Block Synthetic Route
4-({[3-cyano-4-(trifluoromethyl)-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl]sulfanyl}methyl)benzoic acid
2-{[(4-methylphenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{[(3-methylphenyl)methyl]sulfanyl}-4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridine-3-carbonitrile