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1235-21-8

1235-21-8 Structure

1235-21-8 Structure
IdentificationMore
[Name]

ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE
[CAS]

1235-21-8
[Synonyms]

(2-OXOPROPYL)-TRIPHENYLPHOSPHONIUM CHLORIDE
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE
AURORA KA-1148
acetonyltriphenyl-phosphoniuchloride
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE, 9 8%
[EINECS(EC#)]

214-974-1
[Molecular Formula]

C21H20ClOP
[MDL Number]

MFCD00011813
[Molecular Weight]

354.81
[MOL File]

1235-21-8.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
[Melting point ]

243-245 °C(lit.)
[storage temp. ]

Store below +30°C.
[form ]

solid
[color ]

White to Light yellow to Light orange
[Water Solubility ]

Soluble in hot water.
[Sensitive ]

Hygroscopic
[InChI]

1S/C21H20OP.ClH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16H,17H2,1H3;1H/q+1;/p-1
[InChIKey]

XAMZZEBAJZJERT-UHFFFAOYSA-M
[CAS DataBase Reference]

1235-21-8(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[RTECS ]

TA1841000
[F ]

3
[HS Code ]

29319019
[Storage Class]

11 - Combustible Solids
[Toxicity]

mouse,LD50,intravenous,56mg/kg (56mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01535,
Hazard InformationBack Directory
[Chemical Properties]

WHITE TO SLIGHTLY BEIGE FINE CRYSTALLINE POWDER
[Uses]

Used to investigate the antimycobacterial activities of Me alkenyl quinolones

Reactant for synthesis of:
  • Unsaturated esters and ketones containing multiple aromatic and heteroaromatic rings using Suzuki coupling - Wittig olefination
  • Fused oxygen and nitrogen heterocycles via regioselective cyclocondensation

Reactant for Wittig olefinations
[Uses]

Acetonyltriphenylphosphonium chloride is used to investigate the antimycobacterial activities of Me alkenyl quinolones. It is used as a reactant for synthesis of unsaturated esters and ketones containing multiple aromatic and heteroaromatic rings using Suzuki coupling - Wittig olefination.
[reaction suitability]

reaction type: C-C Bond Formation
[Purification Methods]

Recrystallise it from CHCl3/*C6H6/pet ether (b 60-80o) or by dissolving it in CHCl3 and pouring it into dry Et2O. max nm() 255(3,600), 262(3,700), 268(4,000) and 275(3,100). The iodide salt crystallises from H2O and has m 207-209o. [Ramirez & Dershowitz J Org Chem 22 41 1957.] Itisan IRRITANT and is hygroscopic. When shaken with a 10% aqueous solution of Na2CO3 (8hours) it gives acetylmethylene triphenyl phosphorane which is recrystallised from MeOH/H2O and after drying at 70o/0.1mm has m 205-206o. UV: nm() 268 (6600), 275 (6500) and 288 (5700), IR: max 1529 (s), 1470 (m), 1425 (s), max 1374 (m), 1105 and 978 (s) (cm-1). [Ramirez & Dershowitz J Org Chem 22 41, 44 1957, Beilstein 16 H 761, 16 II 373.]
Spectrum DetailBack Directory
[Spectrum Detail]

ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE(1235-21-8)MS
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE(1235-21-8)13CNMR
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE(1235-21-8)IR1
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE(1235-21-8)IR2
ACETONYLTRIPHENYLPHOSPHONIUM CHLORIDE(1235-21-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Acetonyltriphenylphosphonium chloride, 99%(1235-21-8)
[Alfa Aesar]

Acetonyltriphenylphosphonium chloride, 99%(1235-21-8)
[Sigma Aldrich]

1235-21-8(sigmaaldrich)
[TCI AMERICA]

Acetonyltriphenylphosphonium Chloride,>98.0%(T)(1235-21-8)
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