6,6-Dimethyl-5,7-dioxaspiro[2.5]octan-4,8-dion
6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
Grundinformationen
- CAS
5617-70-9- Standard-SMILES
CC1(C)OC(=O)C2(CC2)C(=O)O1- InChIKey
AXJVPXNVESYGDT-UHFFFAOYSA-N- Summenformel
- C8H10O4
- Durchschnittliche Molmasse
- 170,16 g/mol
- Monoisotopische Masse
- 170,0579088
Namen und Bezeichner
- Bevorzugter Name
- 6,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dione
- IUPAC
- 6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
- Lokaler Name
- 6,6-Dimethyl-5,7-dioxaspiro[2.5]octan-4,8-dion
- Englischer Name
- 6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
- Summenformel
- C8H10O4
- Molmasse
- 170.16
Namen und Synonyme
6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione5617-70-96,6-Dimethyl-5,7-dioxaspiro(2.5)octane-4,8-dioneEINECS 227-044-5DTXSID40204702RefChem:103765DTXCID30127193227-044-5MFCD00042796cycl-Isopropylidene cyclopropane-1,1-dicarboxylate5,7-Dioxaspiro[2.5]octane-4,8-dione, 6,6-dimethyl-6,6-dimethyl-5,7-dioxaspiro[2,5]octane-4,8-dione
Weitere Namen anzeigen
Danishefsky's reagentCYCLOPROPYL MELDRUM'S ACID3,3-Dimethyl-2,4-dioxaspiro[5.2]octane-1,5-dione5,7-Dioxa-6,6-dimethylspiro[2.5]octane-4,8-dione6,6-Dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione >
6,6-Dimethyl-5,7-dioxaspiro[2.5]octan-4,8-dionec1334AB01005424-016,6-dimethyl-5,7-dioxaspiro(2,5)octane-4,8-dione6,6-dimethyl-5,7-dioxaspiro[2.5]octane 4,8-dione6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-quinoneZ285921580Cyclopropane-1,1-dicarboxylic acid cycl-isopropylidene ester
Datenbank-Bezeichner
- CAS
5617-70-9- PubChem CID
- 79720
- DTXSID
DTXSID40204702- EC Number
- 227-044-5
- Nikkaji
- J225.057H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 240
Physikochemische Eigenschaften
- Schmelzpunkt
- 63 · 63-65 °C(lit.)
- Siedepunkt
- 396.8 · 396.8±35.0 °C(Predicted)
- Dichte
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- DMF: soluble(lit.)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- BRN
- 1241835 · 1241835
- InChI
- InChI=1S/C8H10O4/c1-7(2)11-5(9)8(3-4-8)6(10)12-7/h3-4H2,1-2H3
- InChIKey
- AXJVPXNVESYGDT-UHFFFAOYSA-N
- SMILES
- C1C2(C(=O)OC(C)(C)OC2=O)C1
- CAS Datenbank
- 5617 · 5617-70-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932209090
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden6,6-Dimethyl-5,7-dioxaspiro[2.5]octan-4,8-dione is used as a reagent to synthesize Bis-benzimidazoles, compounds that act as inhibitors of Type II Dihydrofolate reductase (an enzyme that is produced by bacteria in response to Trimethoprim [T795615]as a defense mechanism).
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
81
Notizen zur Verbindung
Wird geladen…