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Acetonitrile → 1-(2-Chloroethoxy)-4-nitrobenzene

HRID 247901
Notes
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Reaction equation

HRID 247901 reaction equation
C(#N)C.CS([O:8][CH2:9][CH2:10][CH2:11]C[C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][CH:14]=1)(=O)=O.[N+:22]([C:25]1[CH:30]=[CH:29][C:28](CC[CH2:33][CH2:34][OH:35])=[CH:27][CH:26]=1)([O-:24])=[O:23].CS([Cl:40])(=O)=O>C(Cl)Cl.C(N(CC)CC)C.CCOCC.CCCCCC>[Cl:40][CH2:33][CH2:34][O:35][C:13]1[CH:14]=[CH:15][C:16]([N+:19]([O-:21])=[O:20])=[CH:17][CH:18]=1.[Cl:40][CH2:11][CH2:10][CH2:9][O:8][C:28]1[CH:27]=[CH:26][C:25]([N+:22]([O-:24])=[O:23])=[CH:30][CH:29]=1
ParticipantsProcedureSources & evidenceReaction notes

Participants

9

Reactant 4

HCID 6342AcetonitrileHCID 31297Methanesulfonyl chlorideHCID 5908694-NitrobenzenebutanolHCID 147295324-(4-Nitrophenyl)butyl methanesulfonate

Product 2

HCID 27645871-(2-Chloroethoxy)-4-nitrobenzeneHCID 118446171-(3-Chloropropoxy)-4-nitrobenzene

Reagents, catalysts & solvents 3

HCID 6344DichloromethaneSolventHCID 8471TriethylamineSolventHCID 21584099Diethylether hexaneSolvent

Procedure

To an acetonitrile solution of 2- or 3-thiophene aminoethyl compounds 6 (1 eq) was added either an alkyl methanesulfonate or alkyl halide (e.g. 4-(4-nitrophenyl)-1-butyl methanesulfonate [prepared by reacting 4-(4-nitrophenyl)butane-1-ol with methanesulfonyl chloride in methylene chloride and triethylamine and isolated as a crystalline solid from ether/hexane], 1-(2-chloroethoxy)-4-nitrobenzene or 1-(3-chloropropoxy)-4-nitrobenzene [prepared by reacting 4-nitrophenol (1 eq) with 1-bromo-3-chloropropane (1.5 eq) in methyl ethyl ketone with K2CO3 (2 eq) present and isolated as a yellow oil that was crystallized from ether/hexane, mp 37.5°-38.5° C.] (1.5-2.0 eq) and K2CO3 (5 eq) [for the chloro compounds, Nal (1.4-2 eq) was added]. The mixture was refluxed under nitrogen for 16-18 hours. After the solvent had been removed in vacuo, the oily solid was mixed as a slurry in water and extracted with methylene chloride. The combined methylene chloride extract was washed with water and brine and dried (Na2SO4). Solvent removal produced the crude product that was purified by flash silica gel chromatography using a mixture of ethyl acetate in hexane.

Sources & evidence

ORD record
ord-da30346b790e4a64bda68b4a2cbb0326
Source dataset
uspto-grants-1993_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05208252

Reaction notes

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On this pageParticipantsProcedureSources & evidenceReaction notes