ChemicalBook--->CAS DataBase List--->1779-51-7

1779-51-7

1779-51-7 Structure

1779-51-7 Structure
IdentificationMore
[Name]

Butyltriphenylphosphonium bromide
[CAS]

1779-51-7
[Synonyms]

(1-BUTYL)TRIPHENYLPHOSPHONIUM BROMIDE
BTPPBR
BUTYLTRIPHENYLPHOSPHONIUM BROMIDE
BUTYL TRIPHENYL PHOSPHOROUS BROMIDE
N-BUTYLTRIPHENYLPHOSPHONIUM BROMIDE
TBP
butyltriphenyl-phosphoniubromide
Phosphonium,butyltriphenyl-,bromide
Butylriphenylphosphonium Bromide
Butyl Triphenyl Phosphorium Bromide
BUTPPBR: BUTYLTRIPHENYLPHOSPHONIUM BROMIDE
Butyltriphenylbromophosphine
Butyl bromide triphenylphosphine salt
Triphenylbutylphosphonium bromide
[EINECS(EC#)]

217-219-4
[Molecular Formula]

C22H24BrP
[MDL Number]

MFCD00011855
[Molecular Weight]

399.3
[MOL File]

1779-51-7.mol
Chemical PropertiesBack Directory
[Appearance]

white crystalline powder
[Melting point ]

240-243 °C(lit.)
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Crystalline Powder
[color ]

White
[Water Solubility ]

soluble
[Sensitive ]

Hygroscopic
[BRN ]

3580224
[InChI]

InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
[InChIKey]

IKWKJIWDLVYZIY-UHFFFAOYSA-M
[SMILES]

[P+](CCCC)(C1C=CC=CC=1)(C1C=CC=CC=1)C1=CC=CC=C1.[Br-]
[CAS DataBase Reference]

1779-51-7(CAS DataBase Reference)
[EPA Substance Registry System]

1779-51-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
GHS07,GHS06
[Signal word ]

Warning
[Hazard statements ]

H335-H301-H315-H319-H302-H312
[Precautionary statements ]

P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280a-P301+P310a-P305+P351+P338-P501a-P280
[Hazard Codes ]

Xn
[Risk Statements ]

R21/22:Harmful in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

3464
[WGK Germany ]

3
[RTECS ]

TA1855200
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29319099
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyltriphenylphosphonium bromide(1779-51-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

PTC catalyst
[Uses]

Reactant for: Free radical 5-exo-dig cyclization Intramolecular hydroacylalkoxylation Wittig reactions for stereoselective synthesis of alkenes Dimerization of α-olefins Alkylidenation of hydrazides for synthesis of indoles Tandem cyclization and 1,2-thiolate shift of nitrogen ylides
[Uses]

suzuki reaction
[reaction suitability]

reaction type: C-C Bond Formation
[Synthesis]

1-Bromobutane

109-65-9

Triphenylphosphine

603-35-0

Butyltriphenylphosphonium bromide

1779-51-7

Under nitrogen protection, 280 g of bromobutane and 696 g of triphenylphosphine were added to a 2 L four-neck flask dissolved in 500 mL of xylene. The reaction mixture was heated to reflux temperature with continuous stirring for 6 hours. After completion of the reaction, the system was cooled to room temperature, the precipitated white crystals were collected by filtration and washed with xylene. After drying, 797 g of butyltriphenylphosphonium bromide was obtained as a white solid in 97.7% yield.

[References]

[1] Patent: JP6136589, 2017, B2. Location in patent: Paragraph 0102-0104
[2] Acta Chimica Hungarica, 1987, vol. 124, # 5, p. 737 - 748
[3] Journal of Fluorine Chemistry, 2002, vol. 113, # 2, p. 177 - 183
[4] Pharmazie, 1999, vol. 54, # 1, p. 26 - 30
[5] Synthetic Communications, 1981, vol. 11, # 2, p. 125 - 132
Spectrum DetailBack Directory
[Spectrum Detail]

Butyltriphenylphosphonium bromide(1779-51-7)MS
Butyltriphenylphosphonium bromide(1779-51-7)1HNMR
Butyltriphenylphosphonium bromide(1779-51-7)13CNMR
Butyltriphenylphosphonium bromide(1779-51-7)IR1
Butyltriphenylphosphonium bromide(1779-51-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Butyltriphenylphosphonium bromide, 99%(1779-51-7)
[Alfa Aesar]

(1-Butyl)triphenylphosphonium bromide, 99%(1779-51-7)
[Sigma Aldrich]

1779-51-7(sigmaaldrich)
[TCI AMERICA]

Butyltriphenylphosphonium Bromide,>98.0%(LC)(T)(1779-51-7)
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