Methyl 5-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
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Basic information
- CAS
887406-99-7- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)NCc2cc(OC)cc(OC)c2)C1c1ccccc1C(F)(F)F- InChIKey
ZGNQAFVUUQTGMU-UHFFFAOYSA-N- Molecular formula
- C26H27F3N2O5
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.18720645
Names & identifiers
- Preferred name
- Methyl 5-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
- IUPAC
- methyl 5-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
- English name
- Methyl 1,4-Dihydro-2,6-dimethyl-4-(2trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl Carboxamide
- Molecular formula
- C26H27F3N2O5
- Molecular weight
- 504.5
Names & synonyms
887406-99-7Methyl 1,4-Dihydro-2,6-dimethyl-4-(2'-trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl Carboxamidemethyl 5-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylateDTXSID60392817AKOS030253194Methyl 5-[(3,5-dimethoxybenzyl)carbamoyl]-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridinecarboxylateMethyl 1,4-Dihydro-2,6-dimethyl-4-(2-trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl CarboxamideMethyl 5-{[(3,5-dimethoxyphenyl)methyl]carbamoyl}-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylateMethyl 1,4-Dihydro-2,6-dimethyl-4-(2trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl Carboxamide5-[[[(3,5-DiMethoxyphenyl)Methyl]aMino]carbonyl]-1,4-dihydro-2,6-diMethyl-4-[2-(trifluoroMethyl)phenyl]-3-pyridinecarboxylic Acid Methyl EsterMethyl 1,4-Dihydro-2,6-dimethyl-4-(2′-trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl Carboxamide, CAS 887406-99-7
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 873
Physicochemical properties
- Boiling point
- 644.8 · 644.8±55.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 14.05 · 14.05±0.70(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
Chemistry & industry
Applications
UsesMethyl 1,4-Dihydro-2,6-dimethyl-4-(2’-trifluoromethyl)phenyl-pyridine-3-carboxylate-5-(3,4-dimethoxyphenyl)methyl Carboxamide (cas# 887406-99-7) is a compound useful in organic synthesis.
Related reactions
0 records
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Compound notes
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