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3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(8α,9S)-6''-methoxycinchonan-9-yl]amino]-3-cyclobutene-1,2-dione - 97%,98% ee, high purity , CAS No.1256245-84-7
Catalysts & Chiral Catalysts
Basic Description Specifications & Purity ≥97%,≥98%(ee) Storage Temp Store at 2-8°C,Protected from light,Argon charged Shipped In Wet ice
Associated Targets(Human) Names and Identifiers IUPAC Name 3-[3,5-bis(trifluoromethyl)anilino]-4-[[(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]amino]cyclobut-3-ene-1,2-dione INCHI InChI=1S/C32H28F6N4O3/c1-3-16-15-42-9-7-17(16)10-25(42)26(22-6-8-39-24-5-4-21(45-2)14-23(22)24)41-28-27(29(43)30(28)44)40-20-12-18(31(33,34)35)11-19(13-20)32(36,37)38/h3-6,8,11-14,16-17,25-26,40-41H,1,7,9-10,15H2,2H3/t16-,17-,25-,26-/m0/s1 InChi Key RWVDHFLTDHDJKH-FRSFCCSCSA-N Canonical SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)NC5=C(C(=O)C5=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F Isomeric SMILES COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)NC5=C(C(=O)C5=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F PubChem CID 50918013 Molecular Weight 630.6
Chemical and Physical Properties Sensitivity Light sensitive Melt Point(°C) 227-228°C
Safety and Hazards(GHS) Signal Warning Hazard Statements H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
H302: Harmful if swallowed
Precautionary Statements P261: Avoid breathing dust/fume/gas/mist/vapors/spray.
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing.
P280: Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352: IF ON SKIN: wash with plenty of water.
P301+P312: IF SWALLOWED: call a POISON CENTER/doctor/... IF you feel unwell.
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G2304109