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1131-40-4

1131-40-4 Structure

1131-40-4 Structure
IdentificationMore
[Name]

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

1131-40-4
[Synonyms]

RARECHEM AH CK 0052
2,4,6-TRIMETHOXYBROMOBENZENE
BROMO-2,4,6-TRIMETHOXYBENZENE
2,4,6-Trimethoxyphenyl bromide
1-BROMO-2,4,6-TRIMETHOXYBENZENE
2-BROMO-1,3,5-TRIMETHOXYBENZENE
Benzene, 2-bromo-1,3,5-trimethoxy-
2-Bromo-1,3,5-trimethoxybenzene 98%
1-Bromo-2,4,6-trimethoxybenzene 98%
N-methylcarbamic acid [(5-methyl-1,3-benzoxazol-2-yl)-(2-methylphenyl)methyl] ester
[EINECS(EC#)]

214-464-9
[Molecular Formula]

C9H11BrO3
[MDL Number]

MFCD00040757
[Molecular Weight]

247.09
[MOL File]

1131-40-4.mol
Chemical PropertiesBack Directory
[Melting point ]

97-99°C
[Boiling point ]

303.5±37.0 °C(Predicted)
[density ]

1.391±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[color ]

White
[InChI]

InChI=1S/C9H11BrO3/c1-11-6-4-7(12-2)9(10)8(5-6)13-3/h4-5H,1-3H3
[InChIKey]

BPWYNWSOQOXOPI-UHFFFAOYSA-N
[SMILES]

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

1131-40-4(CAS DataBase Reference)
[EPA Substance Registry System]

2-Bromo-1,3,5-trimethoxybenzene (1131-40-4)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[TSCA ]

TSCA listed
[HS Code ]

29093090
Spectrum DetailBack Directory
[Spectrum Detail]

1-BROMO-2,4,6-TRIMETHOXYBENZENE(1131-40-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

2,4,6-Trimethoxybenzoic acid

570-02-5

1-BROMO-2,4,6-TRIMETHOXYBENZENE

1131-40-4

General procedure for the synthesis of 1-bromo-2,4,6-trimethoxybenzene from 2,4,6-trimethoxybenzoic acid: a mixture of 2,4,6-trimethoxybenzoic acid (1 eq., 0.5 mmol), CuBr2 or CuCl2 (2 eq., 1 mmol), Ag2CO3 (1 eq., 0.5 mmol), and PdCl2 (0.1 eq.) was dissolved in THF (3 mL) and the reaction was refluxed at 110 °C for 24 hours. Upon completion of the reaction, the reaction mixture was concentrated under reduced pressure and purified by column chromatography to afford the target product 1-bromo-2,4,6-trimethoxybenzene.

[References]

[1] Tetrahedron Letters, 2013, vol. 54, # 24, p. 3079 - 3081
[2] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
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