[ CAS No. 53316-51-1 ]

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CAS No. 53316-51-1, is an imidazoles compound, with a molecular weight of 132.59, molecular formula C5H9ClN2, Ambeed provides reports for batches of (such as NMR, HPLC/GC).

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Purity: {[proInfo.showProBatch.pb_purity]}

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Product Details

CAS No. :53316-51-1MDL No. :MFCD09743540
Formula :C5H9ClN2InChI Key :RKSANQPKBITNSO-UHFFFAOYSA-N
M.W :132.59Pubchem ID :15556999
Boiling Point :-
Synonyms :

Computed Properties

TPSA : 28.7 H-Bond Acceptor Count : 1
XLogP3 : - H-Bond Donor Count : 2
SP3 : 0.40 Rotatable Bond Count : 0

Safety

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis

[ 53316-51-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 74-96-4 ]
  • [ 53316-51-1 ]
  • [ 56468-48-5 ]
YieldReaction ConditionsOperation in experiment
73% With potassium hydroxide In dimethyl sulfoxide at 40℃; for 16.00 h; Inert atmosphere A solution of 4,5-dimethylimidazolium hydrochloride (82) (8.00 g, 60.3 mmol) in anhydrousDMSO (100 mL) was treated with solid 90percent KOH (11.20 g, 180 mmol) and bromoethane (4.9 mL, 65mmol). The obtained mixture was stirred under argon and heated at 40°C for 16 hours. The reaction mixture was poured into ice-water (500 mL), treated with SN NaOH and extracted with DCM/THF (9:1, 2 x 200 mL). The extract was washed with water (100 mL), dried over Na2CO3, and the solvent was removed under reduced pressure to give 1-ethyl-4,S-dimethylimidazole (87-0) (5.43 g, 73percent yield).
Reference: [1] Patent: WO2018/161025, 2018, A1. Location in patent: Page/Page column 19
  • 2
  • [ 53316-51-1 ]
  • [ 169382-84-7 ]
  • [ 431947-50-1 ]
Reference: [1] European Journal of Organic Chemistry, 2002, # 7, p. 1221 - 1231

[ 53316-51-1 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 51605-33-5 ]
  • [ 53316-51-1 ]
YieldReaction ConditionsOperation in experiment
92% With palladium 10% on activated carbon; hydrogen In methanol for 16.00 h; A mixture of imidazolium hydrochloride (82-Cl) (11.00 g, 65.8 mmol), 10percent Pd(C) (2 g) and methanol (200 mL) was hydrogenated at 60 psi of H2 for 16 hours. The solid was filtered off using a Celite pad, and the solvent was removed under reduced pressure to give 4,5-dimethylimidazolium hydrochloride (82) (8.02 g, 92percent yield).
Reference: [1] Patent: WO2018/161025, 2018, A1. Location in patent: Page/Page column 19
  • 2
  • [ 6921-98-8 ]
  • [ 431-03-8 ]
  • [ 53316-51-1 ]
Reference: [1] Patent: US4409389, 1983, A
  • 3
  • [ 51605-33-5 ]
  • [ 53316-51-1 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1991, vol. 28, # 7, p. 1819 - 1820
  • 4
  • [ 51605-33-5 ]
  • [ 53316-51-1 ]
YieldReaction ConditionsOperation in experiment
92% With palladium 10% on activated carbon; hydrogen In methanol for 16.00 h; A mixture of imidazolium hydrochloride (82-Cl) (11.00 g, 65.8 mmol), 10percent Pd(C) (2 g) and methanol (200 mL) was hydrogenated at 60 psi of H2 for 16 hours. The solid was filtered off using a Celite pad, and the solvent was removed under reduced pressure to give 4,5-dimethylimidazolium hydrochloride (82) (8.02 g, 92percent yield).
Reference: [1] Patent: WO2018/161025, 2018, A1. Location in patent: Page/Page column 19
  • 5
  • [ 6921-98-8 ]
  • [ 431-03-8 ]
  • [ 53316-51-1 ]
Reference: [1] Patent: US4409389, 1983, A
  • 6
  • [ 51605-33-5 ]
  • [ 53316-51-1 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1991, vol. 28, # 7, p. 1819 - 1820
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