ChemicalBook--->CAS DataBase List--->94416-66-7

94416-66-7

94416-66-7 Structure

94416-66-7 Structure
IdentificationBack Directory
[Name]

3,4-Dimethylbenzylbromide
[CAS]

94416-66-7
[Synonyms]

4-(broMoMethyl)-1,2-diMethylbenzene
Benzene, 4-(bromomethyl)-1,2-dimethyl-
[Molecular Formula]

C9H11Br
[MDL Number]

MFCD06136695
[MOL File]

94416-66-7.mol
[Molecular Weight]

199.09
Chemical PropertiesBack Directory
[Boiling point ]

237.4±9.0℃ (760 Torr)
[density ]

1.314±0.06 g/cm3 (20 ºC 760 Torr)
[Fp ]

103.2±11.8℃
[storage temp. ]

Storage temp. 2-8°C
[Appearance]

Off-white to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictogramsGHS hazard pictograms
GHS07,GHS05
[Signal word ]

Danger
[Hazard statements ]

H314-H335-H302-H318
[Precautionary statements ]

P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

3,4-Dimethylbenzylbromide(94416-66-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

(3,4-Dimethylphenyl)methanol

6966-10-5

3,4-Dimethylbenzylbromide

94416-66-7

3,4-Dimethylbenzyl alcohol (1.00 g, 7.34 mmol) was dissolved in dichloromethane (10 mL) at 0 °C and tribromophosphine (1.2 g, 4.41 mmol) was added slowly, keeping the reaction mixture stirred for 3 h at this temperature. Upon completion of the reaction, the reaction was quenched with deionized water (20 mL) followed by extraction with dichloromethane (20 mL x 3). The organic phases were combined, washed with saturated saline (40 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to afford 3,4-dimethylbenzyl bromide as a colorless oil (1.2 g, yield: 82%). The product was characterized by 1H NMR (400 MHz, CDCl3) with chemical shifts of δ 7.17 (s, 1H), 7.15-7.09 (m, 2H), 4.47 (s, 2H), 2.25 (s, 6H) ppm.

[References]

[1] Organic and biomolecular chemistry, 2003, vol. 1, # 17, p. 3033 - 3037
[2] Polish Journal of Chemistry, 2007, vol. 81, # 5-6, p. 947 - 969
[3] Patent: WO2013/81642, 2013, A1. Location in patent: Page/Page column 94
[4] Chemical & Pharmaceutical Bulletin, 1983, vol. 31, # 11, p. 4189 - 4192
[5] Pest Management Science, 2000, vol. 56, # 10, p. 875 - 881
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