4-Isopropylbenzeneboronic acid

Bezeichnung:4-Isopropylbenzeneboronic acid

CAS-Nr16152-51-5

Englisch Name:4-Isopropylbenzeneboronic acid

CBNumberCB0721460

SummenformelC9H13BO2

Molgewicht164.01

MOL-Datei16152-51-5.mol

4-Isopropylbenzeneboronic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	110-112°C
Siedepunkt	285.9±33.0 °C(Predicted)
Dichte	1.04±0.1 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	powder to crystal
pka	8.83±0.10(Predicted)
Farbe	White to Light yellow
BRN	2830262
InChI	InChI=1S/C9H13BO2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7,11-12H,1-2H3
InChIKey	IAEUFBDMVKQCLU-UHFFFAOYSA-N
SMILES	B(C1=CC=C(C(C)C)C=C1)(O)O
CAS Datenbank	16152-51-5(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-43-22
S-Sätze:	26-36/37/39-36/37-36
WGK Germany	WGK 3
HazardClass	IRRITANT
HS Code	29163990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2

Gefahreninformationscode (GHS)

4-Isopropylbenzeneboronic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
White powder
Verwenden
4-Isopropylbenzeneboronic acid is used as a reactant for the preparation of furan-2-carbohydrazides as orally active glucagon receptor antagonists.
Verwenden
suzuki reaction
Synthese

99-88-7

73183-34-3

16152-51-5

The general procedure for the synthesis of 4-isopropylphenylboronic acid from 4-isopropylaniline and pinacol ester of bis(pinacolato)diboron was as follows: to a stirred solution of 4-isopropylaniline (1 g, 7.4 mmol) in acetonitrile (30 mL) was added drop-wise isopentyl nitrite (1.3 mL, 11.1 mmol) and bis(pinacolato)diboron (2.24 g, 8.8 mmol) at 0 °C. The reaction mixture was warmed to 80 °C and stirred continuously for 2 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting crude product was purified by silica gel column chromatography (combiflash) using 4% ethyl acetate/hexane as eluent to give 4-isopropylphenylboronic acid as a brown solid (1.2 g, 99.8% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 7.74 (d, J = 8.0 Hz, 2H), 7.24 (d, J = 8.4 Hz, 2H), 2.93-2.87 (m, 1H), 1.33 (s, 12H), 1.25 (d, J = 7.2 Hz, 6H).
Einzelnachweise
[1] Patent: WO2015/105786, 2015, A1. Location in patent: Page/Page column 13
[2] Patent: US2017/29420, 2017, A1. Location in patent: Paragraph 0045

4-Isopropylbenzeneboronic acid Upstream-Materialien And Downstream Produkte

4-Isopropylbenzeneboronic acid Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

16152-51-5, 4-Isopropylbenzeneboronic acid Verwandte Suche:

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