2-Diphenylphosphinobenzaldehyde CAS#: 50777-76-9; 凯望编码 (ChemWhat Code): 38768

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名2-Diphenylphosphinobenzaldehyde
IUPAC Name2-diphenylphosphanylbenzaldehyde
分子结构2-Diphenylphosphinobenzaldehyde-CAS-50777-76-9
CAS编号 50777-76-9
MDL NumberMFCD00013367
别名(2-formylphenyl)(diphenyl)phosphine, 2-(diphenylphosphino)benzaldehyde, 2-diphenylphosphinobenzaldehyde
分子式C19H15OP
分子量290.301
InChIInChI=1S/C19H15OP/c20-15-16-9-7-8-14-19(16)21(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-15H
InChI KeyDRCPJRZHAJMWOU-UHFFFAOYSA-N
Canonical SMILESC1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3C=O

Physical Data

AppearanceLight yellow powder
Flash Point206.263 °C
Boiling Point417.444 °C at 760 mmHg
Melting Point, °C Solvent (Melting Point)
113 – 115ethyl acetate, hexane

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts1Hchloroform-d1400
Chemical shifts 13Cchloroform-d1100
Chemical shifts31Pchloroform-d1122
2-Diphenylphosphinobenzaldehyde CAS#: 50777-76-9 HNMR2-Diphenylphosphinobenzaldehyde CAS 50777-76-9 HNMR
2-Diphenylphosphinobenzaldehyde CAS#: 50777-76-9 PNMR2-Diphenylphosphinobenzaldehyde CAS#: 50777-76-9 PNMR
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Comment (IR Spectroscopy)
BandsKBr1701 – 1679 cm**(-1)
BandsKBr2870 – 1700 cm**(-1)
Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1
CH2Cl2242, 314, 37610415, 1784, 672

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 2-Diphenylphosphinobenzaldehyde CAS 50777-76-9
ConditionsYield
With triethylamine; tetrakis(triphenylphosphine) palladium(0) In toluene for 2h; Heating;85%
With tetrakis(triphenylphosphine) palladium(0); triethylamine In toluene at 110℃; for 2.5h; Inert atmosphere; Reflux;62%
With sodium acetate; palladium diacetate In N,N-dimethyl-formamide for 24h; Inert atmosphere; Reflux;

Safety and Hazards

Pictogram(s)exclamation-mark
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement CodesP261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)
For more detailed information, please visit ECHA C&L website

Other Data

TransportationNot dangerous goods
Under the room temperature and away from light
HS Code294200
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD 2300/kg
Use Pattern
2-Diphenylphosphinobenzaldehyde is a useful catalyst in many reactions.

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