3,3,6,9,9Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene

CAS: 69340-58-5

Ref. 3D-FP165182

Product Information

• Name: 3,3,6,9,9Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene
• Synonyms: 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethyl-1,8-naphthyridine, 1,2,3,4,4a,5,6,7-Octahydro-2,2,4a,7,7-pentamethylnaphthyridine, 1,8-Naphthyridine, 1,2,3,4,4a,5,6,7-octahydro-2,2,4a,7,7-pentamethyl-, 2,2,4A,7,7-Pentamethyl-1,2,3,4,4A,5,6,7-Octahydro-1,8-Naphthyridine

Description

3,3,6,9,9Pentamethyl-2,10-diazabicyclo[4.4.0]dec-1-ene is a tfa salt with an orthorhombic structure and a bicyclic system that contains two C=C double bonds and one C=N triple bond. It is synthesized by the reaction of 3,3,6,9,9-pentamethylphenylacrylonitrile with sodium bicarbonate and hydrochloric acid in trifluoroacetic acid (TFA) to produce the desired product. The crystalline product was obtained by recrystallization from methanol. The proton transfer mechanism of this compound is similar to that of other TFA salts such as sodium phenylacetate and sodium acetylsalicylate. The carboxyl group can be converted into an amidine group by treatment with ammonia in methanol. This compound

• Brand: Biosynth

Chemical properties

• Molecular weight: 208.34 g/mol
• Formula: C₁₃H₂₄N₂
• Purity: Min. 95%
• InChI: InChI=1S/C13H24N2/c1-11(2)6-8-13(5)9-7-12(3,4)15-10(13)14-11/h6-9H2,1-5H3,(H,14,15)
• InChI key: InChIKey=OEOPGVPCZRQSMQ-UHFFFAOYSA-N
• SMILES: CC1(C)CCC2(C)CCC(C)(C)NC2=N1