Bromo-tris-pyrrolidinophosphonium hexafluorophosphate , 98% , 132705-51-2

Synonym(s):
Bromo-tris-pyrrolidino-phosphonium hexafluorophosphate;PyBroP

CAS NO.：132705-51-2

Empirical Formula: C12H24BrF6N3P2

Molecular Weight: 466.19

MDL number: MFCD00077412

EINECS: 620-834-4

PRODUCT Properties

• Melting point: 100 °C
• storage temp.: -20°C
• solubility: DMF: 0.4 g/mL, clear
• form: Powder
• color: White to off-white
• Water Solubility: moderately soluble
• Sensitive: Moisture Sensitive
• BRN: 7845702
• Stability: Moisture Sensitive
• InChI: InChI=1S/C12H24BrN3P.F6P/c13-17(14-7-1-2-8-14,15-9-3-4-10-15)16-11-5-6-12-16;1-7(2,3,4,5)6/h1-12H2;/q+1;-1
• InChIKey: CYKRMWNZYOIJCH-UHFFFAOYSA-N
• SMILES: [P+5]([F-])([F-])([F-])([F-])([F-])[F-].[P+](N1CCCC1)(N1CCCC1)(N1CCCC1)Br
• CAS DataBase Reference: 132705-51-2(CAS DataBase Reference)

Description and Uses

It can be used as a coupling reagent:

• For Suzuki–Miyaura cross-coupling of phenols and arylboronic acids to synthesize biaryls and heterobiaryls.
• To functionalize pyrimidines (synthesized from 3,4-dihydropyrimidin-2(1H)-ones (DHPMs) via the Kappe dehydrogenation) by using various nucleophiles.
• To synthesize formamidines by coupling with various primary amines and N,N-diisopropylethylamine.

It can also be used as an activating reagent:

• For the activation of C-OH bond in tautomerizable heterocycles to form the phosphonium salt which aids the Sonogashira coupling of heterocycles with various alkynes.
• For the one–pot activation of C-O bond in phenols and further coupling reaction with phosphine oxide or phosphite to form C-P bonds.

Safety

• Symbol(GHS): GHS05
• Signal word: Danger
• Hazard statements: H314
• Precautionary statements: P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
• Hazard Codes: Xi,C
• Risk Statements: 36/37/38-34
• Safety Statements: 26-36-45-36/37/39-27
• WGK Germany: 3
• F: 10-21
• HS Code: 2933 99 80