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Cyclohexan-1,3-dion

1,3-Cyclohexanedione Struktur
504-02-9
CAS-Nr.
504-02-9
Bezeichnung:
Cyclohexan-1,3-dion
Englisch Name:
1,3-Cyclohexanedione
Synonyma:
CYCLOHEXANE-1,3-DIONE;CHD;DIHYDRORESORCINOL;1,3-Cyclohexandione;TECO-013;NSC 57477;ohexanedione;Hydroresorcinol;Dihydroresorcin;1,3-CYCLOHEXANONE
CBNumber:
CB8319650
Summenformel:
C6H8O2
Molgewicht:
112.13
MOL-Datei:
504-02-9.mol
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Cyclohexan-1,3-dion Eigenschaften

Schmelzpunkt:
101-105 °C (lit.)
Siedepunkt:
170.05°C (rough estimate)
Dichte
1,1 g/cm3
Dampfdruck
0.018Pa at 25℃
Brechungsindex
1.4576 (estimate)
storage temp. 
Store at +2°C to +8°C.
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Powder
pka
5.26(at 25℃)
Farbe
Pale yellow to beige
Wasserlöslichkeit
soluble
Merck 
14,3178
BRN 
385888
LogP
0.461 at 21.4℃ and pH3.2
Oberflächenspannung
69.9mN/m at 1.01g/L and 22℃
CAS Datenbank
504-02-9(CAS DataBase Reference)
NIST chemische Informationen
1,3-Cyclohexanedione(504-02-9)
EPA chemische Informationen
1,3-Cyclohexanedione (504-02-9)
Sicherheit
  • Risiko- und Sicherheitserklärung
  • Gefahreninformationscode (GHS)
S-Sätze: 24/25
WGK Germany  3
RTECS-Nr. GV0350000
F  8-21
TSCA  Yes
HS Code  29142900
Bildanzeige (GHS) GHS hazard pictogramsGHS hazard pictograms
Alarmwort Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code
H302 Gesundheitsschädlich bei Verschlucken. Akute Toxizität oral Kategorie 4 Warnung GHS hazard pictogramssrc="/GHS07.jpg" width="20" height="20" /> P264, P270, P301+P312, P330, P501
H318 Verursacht schwere Augenschäden. Schwere Augenschädigung Kategorie 1 Achtung GHS hazard pictogramssrc="/GHS05.jpg" width="20" height="20" /> P280, P305+P351+P338, P310
H412 Schädlich für Wasserorganismen, mit langfristiger Wirkung. Langfristig (chronisch) gewässergefährdend Kategorie 3 P273, P501
Sicherheit
P273 Freisetzung in die Umwelt vermeiden.
P280 Schutzhandschuhe/Schutzkleidung/Augenschutz tragen.

Cyclohexan-1,3-dion Chemische Eigenschaften,Einsatz,Produktion Methoden

S-Sätze Betriebsanweisung:

S24/25:Berührung mit den Augen und der Haut vermeiden.

Chemische Eigenschaften

pale yellow to beige powder

Verwenden

1,3-Cyclohexanedione can be used as a building block in the synthesis of:
  • 9-substituted 1,8-dioxo-xanthenes by reacting with unactivated aldehydes via aldol condensation/ Michael addition reaction.
  • [(1,2,3-triazol-4-yl)methoxy-phenyl]-2H-indazolo[2,1-b]phthalazine-trione derivatives by treating with phthalhydrazide, aromatic propargyloxy aldehydes, and azides via a four-component condensation reaction.
It can be also used to prepare 2-substituted adducts, which are important intermediates for the synthesis of ?-enaminones , polyhydroquinoline derivatives , 1,8-dioxo-dodecahydroxanthenes , spirocyclopentanols , oxathioles , and triquinanes.

Verwenden

1,3-Cyclohexanedione is used in organic synthesis and pharmaceutical intermediates. It is the intermediate of herbicides sulcotrione and nitrosulfonone. It is also nitisinone intermediate.

Definition

ChEBI: 1,3-Cyclohexanedione is a cyclohexanedione carrying oxo substituents at positions 1 and 3. It is a beta-diketone and a cyclohexanedione.

läuterung methode

Crystallise the dione from *benzene. Dissolve ~50g of the diol in 140mL of *C6H6 under N2, cool, collect the solid and dry it in a vacuum desiccator overnight. It is unstable and should be stored under N2 or Ar at ~0o. [Thompson Org Synth Coll Vol III 278 1955, Beilstein 7 IV 1985.]

Cyclohexan-1,3-dion Upstream-Materialien And Downstream Produkte

Upstream-Materialien

1,3-Dihydroxybenzol

Downstream Produkte

3-METHOXY-2-CYCLOHEXEN-1-ONE 5-(2-ETHYLTHIO PROPYL)-1,3-CYCLOHEXANEDIONE Ondansetron 2-[1-(Ethoxyimino)butyl]-5-(2-ethylthiopropyl)-3-hydroxycyclohex-2-en-1-on 5-Oxohexansaeure 2-Oxo-(2H)-furo(2,3-h)-1-benzopyran 1,2,3,9-Tetrahydro-4(H)-carbazol-4-one 3-Ethoxycyclohex-2-en-1-on 3-Aminocyclohex-2-en-1-on 4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid 6,7-Dihydro-4(5H)-benzofuranone 2-(2-OXO-2-PHENYL-ETHYL)-CYCLOHEXANE-1,3-DIONE 2-((3-OXOCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE 2H-3,7a-Methanobenzofuran-4(5H)-one, tetrahydro-

Cyclohexan-1,3-dion Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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504-02-9(Cyclohexan-1,3-dion)Verwandte Suche:

Hexan-2,5-dion 5,5-Dimethylcyclohexan-1,3-dion Cyclohexan Cyclohexa-1,3-dien 2-Methylcyclopentan-1,3-dion Cyclohexan-1,2-diondioxim 2-Ethylcyclopentan-1,3-dion Cyclohexan-1,4-dion Cyclohexan-1,2-dion 2-Methylcyclohexan-1,3-dion Cyclohexan-1,3-diol 2-Hydroxy-3,5-dimethylcyclopent-2-en-1-on Cyclopentan-1,3-dion 2,5-Diethyl-3,4-diphenylcyclopenta-2,4-dien-1-on 3,4-Dimethylcyclopentan-1,2-dion 3,5-Dimethylcyclopentan-1,2-dion Ethylsuccinylsuccinat 3-Methylcyclopentan-1,2-dion
  • 1,3-Benzenediol, dihydro-
  • Hydroresorcinol
  • Resorcinol, dihydro-
  • 1,3-CYCHEXANEDIONE
  • 1,3-cycloadipic ketone
  • 1,3-CYCLOHEXANEDIONE, FOR FLUORESCENCE
  • 1,3-Cyclohexanedione, 97+%
  • 1,3-Cyclohexanedione,98%
  • 1,3-CYCLOHEXANONE
  • 1,3-Dioxocyclohexane
  • 1,3-CYCLOHEXANEDIONE
  • Dihydro-1,3-benzenediol
  • NSC 57477
  • 1,3-Cyclohexanedione, 97% 500GR
  • 1,3-Cyclohexanedione 97%
  • 1,3-Cyclohexanedione SynonyMs Cyclohexane-1,3-dione
  • 1,3-Cyclohexanedione, 97+%, may cont. up to 1% NaCl
  • 1,3-Cyclohexanedione [for HPLC Labeling]
  • 1,3-Diketocyclohexane
  • Dihydroresorcin
  • 1,3-Cyclohexanedione, May Cont. up to 1% Nacl
  • Dihydroresorcinol, 1,3-Dioxocyclohexane
  • 1,3-Cyclohexanedione, 97% 100GR
  • Nitisinone Impurity 1（1,3-Cyclohexanedione）
  • 1,3-Cyclohexanedione >
  • [2-14C] cyclohexane-1,3-dione
  • 1,3-Cyclohexanedione, 97%, for synthesis
  • 1,3-Cyclohexanedione [for HPLC Labeling]>
  • 1,3-CYCLOHEXANEDIONE FOR SYNTHESIS
  • 1,3-CYCLOHEXANEDIONE CHD
  • Cyclohexan-1,3-dion
  • ohexanedione
  • Molindone Impurity B
  • 1,3-Cyclohexandione
  • DIHYDRORESORCINOL
  • CYCLOHEXANE-1,3-DIONE
  • CHD
  • Dimethyl octadecanoate
  • TECO-013
  • 1,3-Cyclohexanedione (7CI, 8CI, 9CI, ACI)
  • Cyclohexan-1,3-dione
  • (2R,3R,4R,5R)-5-(4-acetamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-(hexadecyloxy)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite
  • 504-02-9
  • C6H6OH2
  • Building Blocks
  • Biochemicals and Reagents
  • BioChemical
  • HPLC Labeling Reagents
  • Fluorescence Detection (HPLC Labeling Reagents)
  • Carbonyl Group Labeling Reagents for Fluorescence HPLC
  • Fluorescent Probes, Labels, Particles and Stains
  • Detection
  • Organic Building Blocks
  • Ketones
  • C3 to C6
  • Carbonyl Compounds
  • ketone
  • Intermediates
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