4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane

HCID 10997426

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Grundinformationen

CAS: 126726-62-3
Standard-SMILES: C=C(C)B1OC(C)(C)C(C)(C)O1
InChIKey: SVSUYEJKNSMKKW-UHFFFAOYSA-N
Summenformel: C9H17BO2
Durchschnittliche Molmasse: 168,04 g/mol
Monoisotopische Masse: 168,13216018

Namen und Bezeichner

Bevorzugter Name: 4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane
IUPAC: 4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane
Englischer Name: Isopropenylboronic acid pinacol ester
Summenformel: C9H17BO2
Molmasse: 168.04

Namen und Synonyme

126726-62-34,4,5,5-tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolaneDTXSID70451202RefChem:284846DTXCID20402022627-007-7Isopropenylboronic acid pinacol ester2-Isopropenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethenyl)-MFCD082768434,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane4,4,5,5-TETRAMETHYL-2-(1-METHYLETHENYL)-1,3,2-DIOXABOROLANE

Weitere Namen anzeigen

2-Isopropenyl boronic acid pinacol esterIsopropenylboronic acid picol esterIsopropenylboronic acid pinacol este4,4,5,5-tetramethyl-2-(prop-1-en-2-yl)-1,3,2-Isopropenylboronic acid pinacol ester, 98%min4,4,5,5-Tetramethyl-2-(isopropenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,3-dioxaborolane

2-Isopropenylboronic acid, pinacol ester(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isopropeneSVSUYEJKNSMKKW-UHFFFAOYSA-N4,4,5,5-Tetramethyl-2-(1-methylethenyl)-1,3,2-dioxaborolane; 2-Isopropenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(isopropenyl)-1,3,2-dioxaborolane; 4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane;2-Isopropenylboronic acid pinacol esterSCHEMBL25299469F3W76X8B2-(1-METHYLETHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

Datenbank-Bezeichner

CAS: 126726-62-3
PubChem CID: 10997426
DTXSID: DTXSID70451202
UNII: 69F3W76X8B
EC Number: 627-007-7
Nikkaji: J396.324A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 18,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 193

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-161 °C
Siedepunkt: 47 · 47-49 °C/9 mbar
Dichte: 0.894 g/mL · 0.894 g/mL at 25 °C
Brechungsindex: 1.432 · 1.4320
Flammpunkt: 42 °C · 42 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Farbe: Clear, colorless to brown
InChI: InChI=1S/C9H17BO2/c1-7(2)10-11-8(3,4)9(5,6)12-10/h1H2,2-6H3
InChIKey: SVSUYEJKNSMKKW-UHFFFAOYSA-N
SMILES: O1C(C)(C)C(C)(C)OB1C(C)=C
CAS Datenbank: 126726 · 126726-62-3

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (97.9%)

Sicherheitsdaten

wgk: 3
tsca: No
ridadr: UN 1993
hs_code: 29349990
risk_code: 10-36/37/38-43
hazard_code: Xi
safety_code: 16-26-36/37
hazard_class: IRRITANT
packing_group: Ⅲ
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Aquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2Skin Sens. 1STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIsopropenylboronic Acid Pinacol Ester, can be used as an intermediate in the synthesis of variety of cyclic and acyclic organic compounds. It is also shown that the α-Substituted Allyl/Croty of this compound can be used for highly Diastereo- and Enantioselective allylboration of aldehydes.