Tricyclo[3.3.1.13,7]decan-1-ol

Bezeichnung:Tricyclo[3.3.1.13,7]decan-1-ol

CAS-Nr768-95-6

Englisch Name:1-Adamantanol

CBNumberCB2135047

SummenformelC10H16O

Molgewicht152.23

MOL-Datei768-95-6.mol

Synonyma

Tricyclo[3.3.1.13,7]decan-1-ol

Tricyclo[3.3.1.13,7]decan-1-ol physikalisch-chemischer Eigenschaften

Schmelzpunkt	247 °C (subl.) (lit.)
Siedepunkt	214.73°C (rough estimate)
Dichte	0.8544 (rough estimate)
Brechungsindex	1.4880 (estimate)
Flammpunkt	240°C
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	Chloroform (Sparingly), Methanol (Slightly)
pka	15.38±0.20(Predicted)
Aggregatzustand	Crystalline Powder or Needles
Farbe	White to off-white
Wasserlöslichkeit	Soluble in ethanol , methanol, and diethyl ether. Partly miscible in water.
Sublimation	240 ºC
BRN	1903952
InChIKey	VLLNJDMHDJRNFK-UHFFFAOYSA-N
CAS Datenbank	768-95-6(CAS DataBase Reference)
NIST chemische Informationen	1-Adamantanol(768-95-6)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	22-24/25-36-26
WGK Germany	3
RTECS-Nr.	AU4980000
Hazard Note	Irritant
HS Code	29061900

Gefahreninformationscode (GHS)

1-Adamantanol Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
white to off-white crystalline powder or needles
Verwenden
1-Adamantanol was used in the preparation of 1,3-adamantanediol. It is used in the manufacture of synthetic adamantane derivatives and adapalene.
Synthesis Reference(s)
Synthetic Communications, 19, p. 2061, 1989 DOI: 10.1080/00397918908052598
Tetrahedron Letters, 28, p. 1941, 1987 DOI: 10.1016/S0040-4039(00)96015-5
läuterung methode
If 2-adamantanol is a suspected impurity, then dissolve the substance (10g) in acetone (100mL) and add Jones's reagent [CrO3 (10.3g) in H2O (30mL)], then conc H2SO4 (8.7mL) is added dropwise (turns green in colour) until excess reagent is present (slight red colour). Stir overnight, decant the acetone solution from the Cr salts and adamantan-2-one, dry (Na2SO4) and evaporate to dryness. The residue (ca 7g) is chromatographed through Al2O3 (250g) and washed with 50% *benzene/pet ether (b 40-60o), then 100% Et2O (to remove any adamantan-2-one present) and the 1-adamantanol is then eluted with 5% MeOH in Et2O. The eluate is evaporated, and the residue is recrystallised from pet ether (b 30-60o) at -70o, m 287.2-288.5o. It also crystallises from MeOH and can be sublimed in vacuo. It has characteristic IR, max 3640, 1114, 1086, 982 and 930cm-1. [Schleyer & Nicholas J Am Chem Soc 83 182 1961.] [Beilstein 6 IV 391.] Alternatively, if free from the 2-isomer, dissolve it in tetrahydrofuran, dilute with H2O to precipitate the alcohol. Collect, dry and sublime it in a vacuum at 130o. [Stetter et al. Chem Ber 92 1629 1959.]

1-Adamantanol Upstream-Materialien And Downstream Produkte

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