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21406-61-1

21406-61-1 Structure

21406-61-1 Structure
IdentificationMore
[Name]

PENTYLTRIPHENYLPHOSPHONIUM BROMIDE
[CAS]

21406-61-1
[Synonyms]

(1-PENTYL)TRIPHENYLPHOSPHONIUM BROMIDE
AMYLTRIPHENYLPHOSPHONIUM BROMIDE
N-AMYL TRIPHENYLPHOSPHONIUM BROMIDE
N-PENTYL TRIPHENYLPHOSPHONIUM BROMIDE
PENTYLTRIPHENYLPHOSPHONIUM BROMIDE
TPL
PENTYLTRIPHENYHLPHOSPHONIUM BROMIDE
N-Pentyltriphenylphosphonium bromide, 99+%
[EINECS(EC#)]

244-374-5
[Molecular Formula]

C23H26BrP
[MDL Number]

MFCD00031630
[Molecular Weight]

413.33
[MOL File]

21406-61-1.mol
Chemical PropertiesBack Directory
[Appearance]

LIGHT BROWN TO YELLOW-BROWN CRYSTALLINE POWDER
[Melting point ]

165-168 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[color ]

White to Almost white
[Water Solubility ]

Partly miscible in water. Soluble in methanol and chloroform.
[Sensitive ]

Hygroscopic
[BRN ]

3580453
[InChI]

InChI=1S/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1
[InChIKey]

VAUKWMSXUKODHR-UHFFFAOYSA-M
[SMILES]

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

21406-61-1(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[HS Code ]

29319090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Hydrochloric acid-->Ethyl acetate-->Toluene-->Triphenylphosphine-->1-Bromopentane
[Preparation Products]

Methyl myristelaidate-->cis-10-Pentadecenoic acid methyl ester (C15:1)-->Methyl myristoleate-->1,5,7-Dodecatriene, (5E,7Z)--->(Z)-1-(1,1-DiMethyl-2-heptenyl)-3-(phenylMethoxy)benzene
Hazard InformationBack Directory
[Chemical Properties]

LIGHT BROWN TO YELLOW-BROWN CRYSTALLINE POWDER
[Uses]

It is used as pharmaceutical intermediates.
[Synthesis]

1-Bromopentane

110-53-2

Triphenylphosphine

603-35-0

PENTYLTRIPHENYLPHOSPHONIUM BROMIDE

21406-61-1

General procedure: 1-Bromopentane (1 eq.) was reacted with triphenylphosphine (1.3 eq.) in anhydrous toluene at reflux for 8 to 12 hours under vigorous stirring, referring to literature methods. After completion of the reaction, it was cooled to room temperature and the white solid product was collected by filtration. The solid was washed with excess diethyl ether and subsequently dried. The resulting (1-pentyl)triphenylphosphonium bromide can be used directly in subsequent reactions without further purification.

[References]

[1] Bulletin de la Societe Chimique de France, 1991, # 3, p. 397 - 406
[2] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985, p. 2307 - 2326
[3] Bioorganic and Medicinal Chemistry, 2014, vol. 22, # 19, p. 5168 - 5181
[4] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 2, p. 99 - 101
[5] Pharmazie, 1999, vol. 54, # 1, p. 26 - 30
Spectrum DetailBack Directory
[Spectrum Detail]

PENTYLTRIPHENYLPHOSPHONIUM BROMIDE(21406-61-1)MS
PENTYLTRIPHENYLPHOSPHONIUM BROMIDE(21406-61-1)1HNMR
PENTYLTRIPHENYLPHOSPHONIUM BROMIDE(21406-61-1)13CNMR
PENTYLTRIPHENYLPHOSPHONIUM BROMIDE(21406-61-1)IR1
PENTYLTRIPHENYLPHOSPHONIUM BROMIDE(21406-61-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

n-Pentyltriphenylphosphonium bromide, 99+%(21406-61-1)
[Alfa Aesar]

(1-Pentyl)triphenylphosphonium bromide, 98%(21406-61-1)
[Sigma Aldrich]

21406-61-1(sigmaaldrich)
[TCI AMERICA]

Amyltriphenylphosphonium Bromide,>98.0%(T)(21406-61-1)
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