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21524-34-5

21524-34-5 Structure

21524-34-5 Structure
IdentificationBack Directory
[Name]

1-BROMO-2,4,6-TRIISOPROPYLBENZENE
[CAS]

21524-34-5
[Synonyms]

2,4,6-Triisopropylbromobenzene
1,3,5-Triisopropyl-2-broMobenz
2,4,6-Triisopropylphenyl bromide
1,3,5-Triisopropyl-2-bromobenzene
2-BROMO-1,3,5-TRIISOPROPYLBENZENE
1-BROMO-2,4,6-TRIISOPROPYLBENZENE
1-BroMo-2,4,6-tri-i-propylbenzene
1-BroMo-2,4,6-triisopropylbenzene 95%
2-bromo-1,3,5-tri(propan-2-yl)benzene
2-broMo-1,3,5-tris(propan-2-yl)benzene
1-Bromo-2,4,6-triisopropylbenzene, 98+%
2-Bromo-1,3,5-tris(1-methylethyl)benzene
Benzene,2-broMo-1,3,5-tris(1-Methylethyl)-
1-Bromo-2,4,6-triisopropylbenzene≥ 98% (GC)
1-Bromo-2,4,6-triisopropylbenzene~2,4,6-Triisopropylbromobenzene
2,4,6-Triisopropylbromobenzene, 2-Bromo-1,3,5-triisopropylbenzene
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C15H23Br
[MDL Number]

MFCD00051547
[MOL File]

21524-34-5.mol
[Molecular Weight]

283.25
Questions And AnswerBack Directory
[Synthesis]

1-BROMO-2,4,6-TRIISOPROPYLBENZENE was synthesized by reacting 1,3,5-triisopropylbenzene with PIFA-TMSBr in the presence of a rare gas. The synthesis method is as follows:
In a multiple reaction tube under an argon atmosphere, 1.8 mmol PhI(OTFA)2·(PIFA) (490 mg, 1 equivalent) was dissolved in 12 mL of dry dichloromethane solution. Then, 2.44 mmol (2.0 equivalent) of TMSBr was added to the solution. The clear solution turned into a clear orange color. Then, 250 mg (1.22 mmol) of 1,3,5-triisopropylbenzene was added, and the reaction was carried out at room temperature. After the reaction was completed, the solution was poured into water and extracted with dichloromethane. The organic phases were combined, dried with anhydrous sodium sulfate, filtered, and the organic solvent was evaporated and concentrated. The crude oil was then concentrated under high vacuum to obtain 280 mg of 2-bromo-1,3,5-triisopropylbenzene, with a yield of 81%.


Synthetic Method of 1-BROMO-2,4,6-TRIISOPROPYLBENZENE

Chemical PropertiesBack Directory
[Boiling point ]

96-97 °C0.1 mm Hg(lit.)
[density ]

1.118 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.523(lit.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Water Solubility ]

Slightly miscible with water.
[BRN ]

1953440
[InChI]

InChI=1S/C15H23Br/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
[InChIKey]

FUMMYHVKFAHQST-UHFFFAOYSA-N
[SMILES]

C1(C(C)C)=CC(C(C)C)=CC(C(C)C)=C1Br
[CAS DataBase Reference]

21524-34-5
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

1-Bromo-2,4,6-triisopropylbenzene can be used in the synthesis of 1-fluoro-2,4,6-triisopropylbenzene, a fluorine-substituted aromatic building block for agrochemical synthesis and pharmaceutical production. It can also be used in the synthesis of di-2,4,6-triisopropylphenyl diselenide via reaction with metallic selenium in the presence of tertiary-butyl lithium.
[Uses]

suzuki reaction
[Synthesis Reference(s)]

Synthesis, p. 621, 1976 DOI: 10.1055/s-1976-24146
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Safety Statements ]

23-24/25
[WGK Germany ]

3
[HS Code ]

29039990
Spectrum DetailBack Directory
[Spectrum Detail]

1-BROMO-2,4,6-TRIISOPROPYLBENZENE(21524-34-5)MS
1-BROMO-2,4,6-TRIISOPROPYLBENZENE(21524-34-5)1HNMR
1-BROMO-2,4,6-TRIISOPROPYLBENZENE(21524-34-5)13CNMR
1-BROMO-2,4,6-TRIISOPROPYLBENZENE(21524-34-5)IR1
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