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503070-57-3

503070-57-3 Structure

503070-57-3 Structure
IdentificationBack Directory
[Name]

Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro
[CAS]

503070-57-3
[Synonyms]

BNKY020-VT06
CAS 503070-57-3
ethoxymethyl]​
Bromohexyloxy)​
Vilanterol Impurity 80
Vilanterol Impurity 28
Vilanterol intermediate
BROMOHEXYL-OXY- ETHOXYMETHYLCHLOROBENZENE
2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro
2-((2-((6-bromohexyl)oxy)methyl)-1,3-dichlorobenzene
2-[2-(6-BroMohexyloxy)ethoxyMethyl]-1,3-dichlorobenzene
2- [2- (6-bromohexaoxy) ethoxymethyl] -1,3-dichlorobenzene
Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro
[EINECS(EC#)]

811-292-1
[Molecular Formula]

C15H21BrCl2O2
[MDL Number]

MFCD21337362
[MOL File]

503070-57-3.mol
[Molecular Weight]

384.14
Chemical PropertiesBack Directory
[Boiling point ]

420.8±45.0 °C(Predicted)
[density ]

1.335±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[InChI]

InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2
[InChIKey]

AKLUHFHHUBIDQA-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC=CC(Cl)=C1COCCOCCCCCCBr
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Uses]

2-[2-(6-Bromohexyloxy)ethoxymethyl]-1,3-dichlorobenzene is an intermediate in the synthesis of Vilanterol Trifenatate-d4 (V260002). Vilanterol Trifenatate (V260000) is a long-acting β2 adrenergic receptor Agonist. It demonstrates prolonged bronchodilation in subjects with asthma and COPD.
[Synthesis]

100mL single-necked flask, under a nitrogen atmosphere, 2-((2,6-dichlorobenzyl)oxy)ethan-1-ol (3 g, 13.5 mmol) was dissolved in 1,6-dibromo hexane (9.7 g, 40.5 mmol) tetrabutylammonium bromide (432 mg, 1.35mmol) and 50% sodium hydroxide solution (2.5g, 62.1 mmol) was added and reacted at room temperature for 16 hours. Dichloromethane (50 mL), washed successively with water (50 mL) and saturated brine (50 mL), dried over the organic phase, filtered, concentrated and purified on a silica gel column (ethyl acetate/petroleum ether = 1/12) to give a pale yellow oil Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro.
Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro
Spectrum DetailBack Directory
[Spectrum Detail]

Benzene, 2-[[2-[(6-broMohexyl)oxy]ethoxy]Methyl]-1,3-dichloro(503070-57-3)1HNMR
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