Benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate

HCID 3862746CAS 15097-38-8

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Grundinformationen

Standard-SMILES: O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1
InChIKey: INKMLGJBBDRIQR-UHFFFAOYSA-N
Summenformel: C27H23O2P
Durchschnittliche Molmasse: 410,4 g/mol
Monoisotopische Masse: 410,14356661

Namen und Bezeichner

Bevorzugter Name: Benzyl 2-(triphenyl-lambda5-phosphanylidene)acetate
IUPAC: benzyl 2-(triphenyl-λ5-phosphanylidene)acetate
Englischer Name: Benzyl (triphenylphosphoranylidene)acetate
Summenformel: C27H23O2P
Molmasse: 410.44

Namen und Synonyme

benzyl 2-(triphenyl-lambda5-phosphanylidene)acetateRefChem:566590864-132-815097-38-8Benzyl 2-(triphenylphosphoranylidene)acetateBENZYL (TRIPHENYLPHOSPHORANYLIDENE)ACETATEBenzyl(triphenylphosphoranylidene)acetateMFCD00191787Acetic acid, 2-(triphenylphosphoranylidene)-, phenylmethyl esterC27H23O2Pbenzyl 2-(triphenyl-??-phosphanylidene)acetateSCHEMBL2389657

Weitere Namen anzeigen

benzyl 2-(triphenyl-LABOTEST-BB LT00452383(BenzyloxycarbonylMethylene)triphenylphosphBenzyl(triphenylphosphoranylidene)acetate 97%(benzyloxycarbonylmethylene)triphenylphosphino3-phenyl-2-triphenylphosphoranylidenepropanoatebenzyl 2-(triphenyl-l5-phosphaneylidene)acetateBenzyl (triphenylphosphoranylidene)acetate, 97 %

Acetic acid, (triphenylphosphoranylidene)-, phenylmethyl esterbenzyloxycarbonylmethylene triphenyl phosphoranephenylmethyl 2-(triphenylylidene)acetateDTXSID40397527QAA09738GEO-02511SBB057721AKOS015909319

Datenbank-Bezeichner

CAS: 15097-38-8
PubChem CID: 3862746
DTXSID: DTXSID40397527
EC Number: 864-132-8
Nikkaji: J950.612H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,5
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 7
Schwere Atome: 30
Formalladung: 0
Komplexität: 521

Physikochemische Eigenschaften

Schmelzpunkt: 120 · 120-122 °C(lit.)
Siedepunkt: 571.1 · 571.1±43.0 °C(Predicted)
Dichte: 1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Powder
Farbe: White to off-white
InChI: InChI=1S/C27H23O2P/c28-27(29-21-23-13-5-1-6-14-23)22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,22H,21H2
InChIKey: INKMLGJBBDRIQR-UHFFFAOYSA-N
SMILES: C(OCC1=CC=CC=C1)(=O)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29319019
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 36/37/39-26-22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for: Tributylphosphine-mediated vinylogous Wittig reactionsSynthesis of 1,2-dioxanes for antitrypanosomal activityOrganocatalytic Michael-type reactions / Wittig reactions of phosphorus ylides and unsaturated ketonesStereoselective phosphine-catalyzed cycloaddition to form spirocyclopenteneoxindolesEnantioselective synthesis of pantothenic acidPreparation of phosphorus ylides from phosphoranes and acetic anhydride