Dianin's compound

Dianin's compound

Names
IUPAC name 4-(2,2,4-Trimethyl-4-chromanyl)phenol
Other names 4-p-Hydroxyphenyl-2,2,4-trimethylchroman
Identifiers
CAS Number	472-41-3 Y
3D model (JSmol)	Interactive image Interactive image
ChemSpider	88264 Y
ECHA InfoCard	100.006.775
PubChem CID	97788
UNII	90766708Z6 Y
CompTox Dashboard (EPA)	DTXSID30883388
InChI InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3 Y Key: KXYDGGNWZUHESZ-UHFFFAOYSA-N Y InChI=1/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3 Key: KXYDGGNWZUHESZ-UHFFFAOYAP
SMILES CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C Oc1ccc(cc1)C2(c3c(OC(C2)(C)C)cccc3)C
Properties
Chemical formula	C18H20O2
Molar mass	268.35 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Dianin's compound (4-p-hydroxyphenyl-2,2,4-trimethylchroman) was first prepared by Aleksandr Dianin in 1914.^[1] This compound is a condensation isomer of bisphenol A and acetone and of special importance in host–guest chemistry because it can form a large variety of clathrates with suitable guest molecules. One example is the clathrate of Dianin's compound with morpholine.^[2] Slow evaporation of a solution containing both organic compounds yields crystals. Each asymmetric unit cell making up the crystal contains six chroman molecules of which two are deprotonated and two protonated morpholine molecules. The six chroman molecules are racemate pairs.

References

This page was last edited on 30 June 2022, at 17:08