(1R,4R)-(+)-4-(1,5-Dimethyl-3-Oxohexyl)-1-Cyclohexene-1-Carboxylic Acid Methyl Ester
[CAS# 17904-27-7]

Identification

• Name: (1R,4R)-(+)-4-(1,5-Dimethyl-3-Oxohexyl)-1-Cyclohexene-1-Carboxylic Acid Methyl Ester
• Synonyms: Methyl (4R)-4-[(1R)-1,5-Dimethyl-3-Oxo-Hexyl]Cyclohexene-1-Carboxylate; (4R)-4-[(1R)-1,5-Dimethyl-3-Oxohexyl]-1-Cyclohexenecarboxylic Acid Methyl Ester; (4R)-4-[(1R)-3-Keto-1,5-Dimethyl-Hexyl]Cyclohexene-1-Carboxylic Acid Methyl Ester
• Molecular Formula: C₁₆H₂₆O₃
• Molecular Weight: 266.38
• CAS Registry Number: 17904-27-7
• SMILES: [C@@H]1(CC=C(C(=O)OC)CC1)[C@@H](CC(=O)CC(C)C)C
• InChI: 1S/C16H26O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h7,11-13H,5-6,8-10H2,1-4H3/t12-,13+/m1/s1
• InChIKey: IIWNDLDEVPJIBT-OLZOCXBDSA-N

Properties

• Density: 0.996g/cm³ (Cal.)
• Boiling point: 351.948°C at 760 mmHg (Cal.)
• Flash point: 150.429°C (Cal.)

References

• (1): Itagaki Noriaki. Enantio- and diastereocontrolled synthesis of (+)-juvabione employing organocatalytic desymmetrisation and photoinduced fragmentation, Chemical Communications, 2007