692263

PEPPSI^™-SONO-sp²

98%

• Empirical Formula (Hill Notation): C₃₂H₄₀Cl₃N₃Pd · 0.4CuI
• Molecular Weight: 755.64
• UNSPSC Code: 12352300
• PubChem Substance ID: 329761479

Properties

• assay: 98%
• form: powder
• reaction suitability: reagent type: catalyst; core: palladium
• SMILES string: [Cu]I.[Cu]I.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Cl[Pd]Cl.Clc1cccnc1.Clc2cccnc2.Clc3cccnc3.Clc4cccnc4.Clc5cccnc5.CC(C)c6cccc(C(C)C)c6N7CN(C=C7)c8c(cccc8C(C)C)C(C)C.CC(C)c9cccc(C(C)C)c9N%10CN(C=C%10)c%11c(cccc%11C(C)C)C(C)C.CC(C)c%12cccc(C(C)C)c%12N%13CN(C=C%13)c%14c(cccc%14C(C)C)C(C)C.CC(C)c%15cccc(C(C)C)c%15N%16CN(C=C%16)c%17c(cccc%17C(C)C)C(C)C.CC(C)c%18cccc(C(C)C)c%18N%19CN(C=C%19)c%20c(cccc%20C(C)C)C(C)C
• InChI: 1S/5C27H38N2.5C5H4ClN.10ClH.2Cu.2HI.5Pd/c5*1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;5*6-5-2-1-3-7-4-5;;;;;;;;;;;;;;;;;;;/h5*9-16,18-21H,17H2,1-8H3;5*1-4H;10*1H;;;2*1H;;;;;/q;;;;;;;;;;;;;;;;;;;;2*+1;;;5*+2/p-12
• InChI key: HHZQXZQIQVCMBL-UHFFFAOYSA-B

Description

Application

Catalyst formulation of PEPPSI^™-IPr and CuI (1:0.4 molar ratio) for Sonogashira coupling of terminal alkynes with sp² centers.

Legal Information

US Patent 7250510

PEPPSI is a trademark of Total Synthesis Ltd.

Safety Information

• pictograms: GHS08,GHS05,GHS07,GHS09
• signalword: Danger
• hcodes: H302 + H312 + H332,H315,H317,H318,H372,H411
• pcodes: P273 - P280 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338 - P314
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 2 - Eye Dam. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT RE 1 Oral
• target_organs: Thyroid
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves