Home
Resources
Publications
(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole

(3aS,4S,6S,7aR)-Hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole

Tore Lejon, Olga V Gozhina, Victor N Khrustalev

Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3103.

PMID: 23284430

Abstract:

The mol-ecule of the title compound, C(16)H(21)BO(2), comprises a chiral fused tricyclic system containing five-membered (1,3,2-dioxaborolane), six-membered (cyclo-hexa-ne) and four-membered (cyclo-butane) rings. The 1,3,2-dioxaborolane ring is almost planar (r.m.s. deviation = 0.035 Å), and the syn H and Me substituents at this ring are in an eclipsed conformation. The cyclo-hexane and cyclo-butane rings adopt sofa and butterfly conformations, respectively. The B atom has a trigonal-planar configuration (sum of the bond angles = 360.0°). The phenyl ring is practically coplanar with the 1,3,2-dioxaborolane ring [dihedral angle between the ring planes = 1.96 (8)°]. The absolute structure was determined from the known configuration of (+)-pinanediol which was used in the synthesis. In the crystal, weak C-H⋯π(Ph) inter-actions occur.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP66080237	4,4,5,5,-Tetramethyl-2-phenylsulfanylmethyl-1,3,2-dioxaborolane		66080-23-7	Price

As a specialist in analytical chemical Products, Alfa Chemistry offers consumers a wealth of raw materials and a full range of technologies and services.

QUICK LINKS

HEADQUARTERS

Tel:

Fax:

Email: