2,6-Di-tert-butyl-4-methylpyridin

2,6-Di-tert-butyl-4-methylpyridine

HCID 98898

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Grundinformationen

CAS: 38222-83-2
Standard-SMILES: Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1
InChIKey: HVHZEKKZMFRULH-UHFFFAOYSA-N
Summenformel: C14H23N
Durchschnittliche Molmasse: 205,34 g/mol
Monoisotopische Masse: 205,18304974

Namen und Bezeichner

Bevorzugter Name: 2,6-Di-tert-butyl-4-methylpyridine
IUPAC: 2,6-ditert-butyl-4-methylpyridine
Lokaler Name: 2,6-Di-tert-butyl-4-methylpyridin
Englischer Name: 2,6-Di-tert-butyl-4-methylpyridine
Summenformel: C14H23N
Molmasse: 205.34

Namen und Synonyme

2,6-Di-tert-butyl-4-methylpyridine38222-83-2DTBMP2,6-di-t-Butyl-4-methylpyridine4-methyl-2,6-di-tert-butylpyridine2,6-di-tert-butyl-4-picolineUNII-83004E89V52,6-di-t-butyl-4-methyl-pyridineEINECS 253-834-4NSC-17579283004E89V52,6-bis(1,1-dimethylethyl)-4-methylpyridine

Weitere Namen anzeigen

Dibutylmethylpyridine2,6-Di-tert-butyl-4-methylpyridinD2419AB1003AC-5133AC1L40I3Di-tert-butyl-4-Methylpyr

DTXSID10191615NSC 1757922,6-DI-TERT-BUTYL-4-METHYLPYRIDINE [MI]IDINE, 2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-RefChem:831052,6Ditertbutyl4picoline4Methyl2,6ditertbutylpyridineDTXCID50114106

Datenbank-Bezeichner

CAS: 38222-83-2
PubChem CID: 98898
DTXSID: DTXSID10191615
UNII: 83004E89V5
EC Number: 253-834-4
Nikkaji: J89.216E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 184

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionColorless liquid that slowly solidifies; mp = 31-32 deg C; [Merck Index] White or light brown solid; mp = 30-35 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 33 · 33-36 °C (lit.)
Siedepunkt: 233 °C · 233 °C (lit.)
Dichte: 1 · 1,476 g/cm3
Brechungsindex: 20 · n20/D 1.4763(lit.)
Flammpunkt: 183 °F · 183 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 5 %, · ethanol: soluble5%, clear to slightly hazy, colorless to dark yellow
Aggregatzustand: Liquid or Low Melting Solid
pka: 6.88 · 6.88±0.10(Predicted)
Farbe: brown
Wasserlöslichkeit: Sparingly soluble in water. Soluble in ethanol, acetic acid and diethyl ether.
BRN: 130503 · 130503
InChI: 1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3
InChIKey: HVHZEKKZMFRULH-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C
CAS Datenbank: 38222 · 38222-83-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPyridine, 2,6-bis(1,1-dimethylethyl)-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

Sicherheitsdaten

F: 8-10-23
wgk: 3
hs_code: 29333990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

UsesUsed as a reagent in synthetic organic chemistry (acid scavenger); [Merck Index]

Anwendungen · 1 Eintrag

Verwenden2,6-Di-tert-butyl-4-methylpyridine is used for the generation of enol triflates from ketones using trifluoromethanesulfonic anhydride. It is also used in the synthesis of 1,2-dihydro-2-silanaphthalene derivatives, as base in PtCl4-catalyzed cyclization reactions of homopropargyl azide derivatives and in diastereoselective synthesis of β-thiomannopyranosides.