(tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide

HCID 2733853CAS 59159-39-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIKey: ZGLFRTJDWWKIAK-UHFFFAOYSA-M
Summenformel: C24H26BrO2P
Durchschnittliche Molmasse: 457,3 g/mol
Monoisotopische Masse: 456,08538

Namen und Bezeichner

Bevorzugter Name: (tert-Butoxycarbonylmethyl)triphenylphosphonium Bromide
IUPAC: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium bromide
Englischer Name: (tert-Butoxycarbonylmethyl)triphenylphosphanium bromide
Summenformel: C24H26BrO2P
Molmasse: 457.34

Namen und Synonyme

(tert-Butoxycarbonylmethyl)triphenylphosphonium bromideRefChem:408456628-357-359159-39-6(2-(tert-Butoxy)-2-oxoethyl)triphenylphosphonium bromideMFCD00075527SCHEMBL629737Phosphonium, [2-(1,1-dimethylethoxy)-2-oxoethyl]triphenyl-, bromide(Boc-methyl)triphenylphosphonium bromide[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium;bromide[2-(tert-Butoxy)-2-oxoethyl]triphenylphosphonium BromideZGLFRTJDWWKIAK-UHFFFAOYSA-M

Weitere Namen anzeigen

NSC 82468carbo-tert-butoxymethyl triphenylphospT-butoxycarbonylMethyltriphenylphosphoniuMbroMidetert-Butoxycarbonylmethyltriphenylphosphoniumbromcarbo-tert-butoxymethyl triphenylphosphonium bromide(tert-Butoxycarbonylmethyl)triphenylphosphanium bromide

(2-tert-butoxy-2-oxo-ethyl)-triphenyl-phosphonium;bromideDTXSID00370018NSC82468NSC-82468AKOS008901294CS-W009646SY060199B3928

Datenbank-Bezeichner

CAS: 59159-39-6
PubChem CID: 2733853
DTXSID: DTXSID00370018
EC Number: 628-357-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 7
Schwere Atome: 28
Formalladung: 0
Komplexität: 418

Physikochemische Eigenschaften

Schmelzpunkt: 178 °C · 178 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 4631405 · 4631405
InChI: 1S/C24H26O2P.BrH/c1-24(2,3)26-23(25)19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,19H2,1-3H3;1H/q+1;/p-1
InChIKey: ZGLFRTJDWWKIAK-UHFFFAOYSA-M
SMILES: [Br-].CC(C)(C)OC(=O)C[P+](c1ccccc1)(c2ccccc2)c3ccccc3
CAS Datenbank: 59159 · 59159-39-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29319019
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for:Rhodium-catalyzed asymmetric hydrogenation reactionsWittig reactionWittig methylenationPreparation of N-(phenylmethyl)-cis-pyrrolidinediacetic acid esters via double aza-Michael addition reactionStereoselective preparation of of α-fluoro-α,β-unsaturated esters via deprotonation, followed by fluorination and stereoselective Wittig olefination with aldehydesWittig chain extension reactions