ChemicalBook--->CAS DataBase List--->17814-85-6

17814-85-6

17814-85-6 Structure

17814-85-6 Structure
IdentificationMore
[Name]

(4-Carboxybutyl)triphenylphosphonium bromide
[CAS]

17814-85-6
[Synonyms]

(4-CARBOXYBUTYL)TRIPHENYLPHOSPHONIUM BROMIDE
CBT
(4-carboxybutyl)triphenyl-phosphoniubromide
Phosphonium, (4-carboxybutyl)triphenyl-, bromide
4-CARBOXYBUTYLTRIPHENYLPHOSPHONIUM BROMIDE 98%
(4-Carboxybutyl)triphenylphosphonium bromide, 98 %
(5-Hydroxy-5-oxopentyl)-triphenylphosphanium bromide
[EINECS(EC#)]

241-782-5
[Molecular Formula]

C23H24BrO2P
[MDL Number]

MFCD00011906
[Molecular Weight]

443.31
[MOL File]

17814-85-6.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO ALMOST WHITE CRYSTALLINE POWDER
[Melting point ]

204-207 °C(lit.)
[Boiling point ]

324.7-327.4℃ at 101.93-102.15kPa
[bulk density]

360-400kg/m3
[density ]

1.371 at 20℃
[vapor pressure ]

0Pa at 25℃
[Fp ]

195°(383°F)
[storage temp. ]

Store below +30°C.
[solubility ]

DMSO, Methanol, Water
[form ]

solid
[color ]

White to Off-White
[Water Solubility ]

Soluble in ethanol, methanol and soluble water. Insoluble in toluene and hexane.
[Sensitive ]

Hygroscopic
[BRN ]

3586477
[InChI]

1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
[InChIKey]

KQJPHSBFOSLICV-UHFFFAOYSA-N
[SMILES]

[Br-].OC(=O)CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
[LogP]

0.146
[CAS DataBase Reference]

17814-85-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3278
[WGK Germany ]

3
[REACH Registrations]

Inactive
[HS Code ]

29310095
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Dam. 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6).msds
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO ALMOST WHITE CRYSTALLINE POWDER
[Uses]

suzuki reaction
[reaction suitability]

reaction type: C-C Bond Formation
[Synthesis]

5-Bromovaleric acid

2067-33-6

Triphenylphosphine

603-35-0

(4-Carboxybutyl)triphenylphosphonium bromide

17814-85-6

General method: 5-Bromovaleric acid (1 eq.) and triphenylphosphine (1 eq.) were dissolved in 300 mL of toluene and the reaction was refluxed under argon protection for 48 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure. The target product 4-carboxybutyltriphenylphosphonium bromide was obtained by crystallization and purification of the residue from a suitable solvent.

[References]

[1] Journal of Organic Chemistry, 1999, vol. 64, # 9, p. 3196 - 3206
[2] Canadian Journal of Chemistry, 2003, vol. 81, # 6, p. 697 - 704
[3] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 1, p. 567 - 579
[4] Journal of Organic Chemistry, 1987, vol. 52, # 20, p. 4449 - 4453
[5] Journal of Medicinal Chemistry, 2017, vol. 60, # 14, p. 6353 - 6363
Spectrum DetailBack Directory
[Spectrum Detail]

(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)MS
(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)1HNMR
(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)13CNMR
(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)IR1
(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)IR2
(4-Carboxybutyl)triphenylphosphonium bromide(17814-85-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(4-Carboxybutyl)triphenylphosphonium bromide, 98%(17814-85-6)
[Sigma Aldrich]

17814-85-6(sigmaaldrich)
[TCI AMERICA]

4-(Carboxybutyl)triphenylphosphonium Bromide,>98.0%(T)(17814-85-6)
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