hexa-2,4-diyne-1,6-diol

hexa-2,4-diyne-1,6-diol - Names and Identifiers

Name	2,4-hexadiyne-1,6-diol
Synonyms	2,4-Hexadiynediol Diacetylene glycol TIMTEC-BB SBB008793 2,4-HEXADIYN-1,6-DIOL 2,4-Hexadiyn-1,6-diol 2,4-HEXADIYNE-1,6-DIOL 2,4-HEXADIENE-1,6-DIOL 2,4-hexadiyne-1,6-diol hexa-2,4-diyne-1,6-diol 1,6-DIHYDROXY-2,4-HEXADIYNE
CAS	3031-68-3
EINECS	221-210-0
InChI	InChI=1/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2

hexa-2,4-diyne-1,6-diol - Physico-chemical Properties

Molecular Formula	C6H6O2
Molar Mass	110.11
Density	1.234±0.06 g/cm3(Predicted)
Melting Point	113-114 °C (lit.)
Boling Point	292.1±25.0 °C(Predicted)
Flash Point	151°C
Solubility	soluble in Methanol
Vapor Presure	0.0002mmHg at 25°C
Appearance	powder to crystal
Color	White to Light yellow to Light orange
BRN	773791
pKa	12.26±0.10(Predicted)
Storage Condition	2-8°C
Refractive Index	1.561
MDL	MFCD00020619

hexa-2,4-diyne-1,6-diol - Risk and Safety

Hazard Symbols	F - Flammable
Risk Codes	11 - Highly Flammable
Safety Description	S16 - Keep away from sources of ignition. S22 - Do not breathe dust. S24/25 - Avoid contact with skin and eyes.
UN IDs	UN 1325 4.1/PG 2
WGK Germany	3
FLUKA BRAND F CODES	4.5-8
HS Code	29052900
Hazard Class	4.1
Packing Group	III

hexa-2,4-diyne-1,6-diol - Reference Information

Application

2,4-hexadiyne -1,6-diol is a 1, 3-diyne derivative. 1, 3-diyne derivatives are important structural units of many natural products, luminescent materials and supramolecular compounds.

preparation

weigh 0.112g(2.0mmol) of propargyl alcohol, 0.202g(2.0mmol) of triethylamine and 0.29g of CuAl-LDH catalyst, place them in a glass flask together, add 10mL of organic solvent toluene, and stir for reaction at normal temperature and pressure for 16 hours. After stopping the reaction, the reaction mixed solution in the flask was filtered. The filtered solid is washed with toluene 2-3 times, and then dried at 40- 150 ℃ for 2-20 hours, which is directly used in the next catalytic cycle. The filtrate was combined with the washed solvent, concentrated with a rotary evaporator, and then separated by a silica gel column. The eluent was n-hexane/ethyl acetate, and the yield of 2, 4-diyne -1, 6-hexanediol was 86%.

Last Update：2024-04-09 20:02:46