3-methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Base Information

• Chemical Name: 3-methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate
• CAS No.: 124733-03-5
• Molecular Formula: C21H23 F2 N O5
• Molecular Weight: 407.4078
• DSSTox Substance ID: DTXSID80924917
• Mol file: 124733-03-5.mol

Synonyms:124733-03-5;3-methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate;Furo(3,4-b)pyridine-3-carboxylic acid, 1,4,5,7-tetrahydro-4-(2-(difluoromethoxy)phenyl)-2-methyl-5-oxo-, 3-methylbutyl ester;C21H23F2NO5;DTXSID80924917;IWXMRQFVUAGHOS-UHFFFAOYSA-N;C21-H23-F2-N-O5;LS-70888;3-Methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate

Chemical Property of 3-methylbutyl 4-[2-(difluoromethoxy)phenyl]-2-methyl-5-oxo-4,7-dihydro-1H-furo[3,4-b]pyridine-3-carboxylate

Chemical Property:

• Vapor Pressure: 1.45E-11mmHg at 25°C
• Boiling Point: 536.1°Cat760mmHg
• PKA: -1.26±0.70(Predicted)
• Flash Point: 278°C
• PSA: 73.86000
• Density: 1.29g/cm³
• LogP: 3.97780
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 407.15442916
• Heavy Atom Count: 29
• Complexity: 716

Purity/Quality:

FURO(3,4-B)PYRIDINE-3-CARBOXYLIC ACID, 1,4,5,7-TETRAHYDRO-4-(2-(DIFLUO ROMETHOXY)PHENYL)-2-METHYL-5-OXO-, 3-METHYLBUTYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(C2=C(N1)COC2=O)C3=CC=CC=C3OC(F)F)C(=O)OCCC(C)C