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Chemical Structure| 380177-22-0 Chemical Structure| 380177-22-0

Structure of 380177-22-0

Chemical Structure| 380177-22-0

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Product Details of [ 380177-22-0 ]

CAS No. :380177-22-0
Formula : C9H9ClN2O
M.W : 196.63
SMILES Code : OCC1=NC2=CC(Cl)=CC=C2N1C
MDL No. :MFCD02717142
InChI Key :OPZPYJVOAILPDV-UHFFFAOYSA-N
Pubchem ID :4066944

Safety of [ 380177-22-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H332-H335
Precautionary Statements:P261-P280-P305+P351+P338

Application In Synthesis of [ 380177-22-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 380177-22-0 ]

[ 380177-22-0 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 380177-22-0 ]
  • [ 75487-56-8 ]
  • 2
  • [ 15950-17-1 ]
  • [ 380177-22-0 ]
  • 3
  • [ 79-14-1 ]
  • [ 59681-66-2 ]
  • [ 380177-22-0 ]
YieldReaction ConditionsOperation in experiment
45% at 20 - 150℃; for 5h; 4-chloro-N1-methylbenzene-1,2-diamine (15.0 g, 96 mmol) and glycolic acid (8.1 g, 106 mmol) were mixed together in a sealed tube. The mixture was heated at 150 C for 5 hours before it was cooled down to room temperature. The residue was purified by flash column chromatography (0-5% MeOH in CH2CI2) to give the product (8.5 g, 45% YIELD). H NMR (300 MHz, CDC13) 5 : 3.80 (s, 3 H), 4.86 (s, 2 H), 7.13-7. 22 (m, 2 H), 7.62-7. 64 (m, 1 H).
  • 4
  • [ 380177-22-0 ]
  • [ 156212-80-5 ]
YieldReaction ConditionsOperation in experiment
66% With Dess-Martin periodane; In dichloromethane; at 20℃; for 15h; A solution of (5-CHLORO-1-METHYL-1H-BENZIMIDAZOL-2-YL) METHANOL (1.5 g, 7.7 mmol) dissolved in CH2CI2 at room temperature was treated with Dess-Martin periodinane (4.9 g, 11.5 mmol). The reaction was stirred for 15 hours before the solvent was removed. The residue was purified by flash column chromatography (0-3% MeOH in CH2CI2) to give the product (1.0 g, 66% YIELD). 1H NMR (300 MHz, CDCI3) 6 : 4.16 (s, 3 H), 7.40-7. 47 (m, 2 H), 7.90-7. 93 (m, 1 H), 10.11 (s, 1 H).
  • 5
  • [ 380177-22-0 ]
  • [ 1357162-30-1 ]
  • 6
  • [ 380177-22-0 ]
  • [ 1357162-39-0 ]
  • 8
  • [ 6953-65-7 ]
  • [ 74-88-4 ]
  • [ 380177-22-0 ]
YieldReaction ConditionsOperation in experiment
46% N-Methyl-2-methanol-5-chlorobenzimidazole 49 was prepared according to using the procedure by Harisha et al. [28] A solution of 5-chloro-(1H-benzimidazole-2-yl)-methanol 28 (1.50 g, 8.20 mmol), and sodium hydroxide (0.33 g, 8.2 mmol) were stirred in dry acetone (30 mL) for 30 min. Then, iodomethane (1.41 g, 8.20 mmol) was added and the mixture was stirred for 24 h. The reaction mixture was concentrated to a quarter and then poured into ice-cold water. The solid was filtered and washed with 50% HCl to neutralize the excess potassium carbonate. The solid was washed with cold water (100 mL) and aqueous ethanol. The product was purified by column chromatography (9:1 chloroform/ethanol) to give the desired product 38 as bright orange crystals Yield 9%.
  • 9
  • [ 380177-22-0 ]
  • C21H19ClN2O2 [ No CAS ]
  • 10
  • [ 380177-22-0 ]
  • C20H19ClN2O3 [ No CAS ]
 

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