(1-Furan-2-yl-3-methyl-but-3-enyl)-phenyl-amine
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Basic information
- CAS
354552-07-1- Standard SMILES
C=C(C)CC(Nc1ccccc1)c1ccco1- InChIKey
MFBSQOXSUKTXAF-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- (1-Furan-2-yl-3-methyl-but-3-enyl)-phenyl-amine
- IUPAC
- N-[1-(furan-2-yl)-3-methylbut-3-enyl]aniline
- English name
- (1-FURAN-2-YL-3-METHYL-BUT-3-ENYL)-PHENYL-AMINE
- Molecular formula
- C15H17NO
- Molecular weight
- 227.3
Names & synonyms
354552-07-1(1-Furan-2-yl-3-methyl-but-3-enyl)-phenyl-amineDTXSID80389860RefChem:204541DTXCID50340721N-(1-(Furan-2-yl)-3-methylbut-3-en-1-yl)anilineN-[1-(furan-2-yl)-3-methylbut-3-enyl]anilineN-[1-(furan-2-yl)-3-methylbut-3-en-1-yl]anilineOprea1_184241Oprea1_602762AKOS000300807AKOS024303323
Show more names
2-methyl-4-N-phenylamino-4-(2-furyl)butene-12-Furanmethanamine, α-(2-methyl-2-propen-1-yl)-N-phenyl-
DB-016236CS-0367595ST50017207(1-(2-furyl)-3-methylbut-3-enyl)phenylamineN-[1-(2-furyl)-3-methyl-but-3-enyl]anilineAM-760/12882016SR-01000311731N-[1-(2-furyl)-3-methyl-3-butenyl]-N-phenylamine
Database identifiers
- CAS
354552-07-1- PubChem CID
- 3147174
- DTXSID
DTXSID80389860- Nikkaji
- J2.161.511K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 25.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 130 · 130-133 °C(Press: 3 Torr)
- Density
- 1.061 · 1.061±0.06 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.50(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Applications
Uses(1-Furan-2-yl-3-methyl-but-3-enyl)-phenyl-amine (CAS# 354552-07-1) is used as a reactant in the synthetic preparation of tetrahydroisoindolo[2,1-a]quinolinecarboxylic acids via Diels-Alder cycloaddition of (furyl)arylaminobutenes with maleic anhydride and ring opening - intramolecular cyclization of azaoxatricyclodecenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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