[ CAS No. 53316-51-1 ]

{[proInfo.proName]}
Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 53316-51-1
Chemical Structure| 53316-51-1
Structure of 53316-51-1

Quality Control of [ 53316-51-1 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 53316-51-1 ]

SDS

Product Details of [ 53316-51-1 ]

CAS No. :53316-51-1MDL No. :MFCD09743540
Formula :C5H9ClN2Boiling Point :-
Linear Structure Formula :C5H8N2*HClInChI Key :-
M.W :132.59Pubchem ID :15556999
Synonyms :

Computed Properties of [ 53316-51-1 ]

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

Safety of [ 53316-51-1 ]

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 of [ 53316-51-1 ]

  • Upstream synthesis route of [ 53316-51-1 ]
  • Downstream synthetic route of [ 53316-51-1 ]

[ 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
Related Products
Historical Records

Related Parent Nucleus of
[ 53316-51-1 ]

Aromatic Heterocycles

Chemical Structure| 86027-00-1

[ 86027-00-1 ]

4,5-Dimethyl-1H-imidazole formate

Similarity: 0.88

Chemical Structure| 13805-21-5

[ 13805-21-5 ]

4,5-Dimethyl-1H-imidazol-2-amine

Similarity: 0.81

Chemical Structure| 38585-62-5

[ 38585-62-5 ]

(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride

Similarity: 0.80

Chemical Structure| 68282-53-1

[ 68282-53-1 ]

5-Methyl-1H-imidazole-4-carbaldehyde

Similarity: 0.80

Chemical Structure| 66247-84-5

[ 66247-84-5 ]

(1H-Imidazol-4-yl)methanamine hydrochloride

Similarity: 0.76

Imidazoles

Chemical Structure| 86027-00-1

[ 86027-00-1 ]

4,5-Dimethyl-1H-imidazole formate

Similarity: 0.88

Chemical Structure| 822-36-6

[ 822-36-6 ]

4-Methyl-1H-imidazole

Similarity: 0.83

Chemical Structure| 13805-21-5

[ 13805-21-5 ]

4,5-Dimethyl-1H-imidazol-2-amine

Similarity: 0.81

Chemical Structure| 38585-62-5

[ 38585-62-5 ]

(4-Methyl-1H-imidazol-5-yl)methanol hydrochloride

Similarity: 0.80

Chemical Structure| 68282-53-1

[ 68282-53-1 ]

5-Methyl-1H-imidazole-4-carbaldehyde

Similarity: 0.80