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Chemical Structure| 88229-16-7 Chemical Structure| 88229-16-7

Structure of 88229-16-7

Chemical Structure| 88229-16-7

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Product Details of [ 88229-16-7 ]

CAS No. :88229-16-7
Formula : C10H10FNO
M.W : 179.19
SMILES Code : O=C(NC1CC1)C2=CC=C(F)C=C2
MDL No. :MFCD03363521
Boiling Point : No data available
InChI Key :YPSPTZQFKWMPDX-UHFFFAOYSA-N
Pubchem ID :4088729

Safety of [ 88229-16-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H311-H331
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 88229-16-7 ]

* 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 [ 88229-16-7 ]

[ 88229-16-7 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 403-43-0 ]
  • [ 765-30-0 ]
  • [ 88229-16-7 ]
YieldReaction ConditionsOperation in experiment
67% With triethylamine; In dichloromethane; at 0 - 20℃; for 12.0h;Inert atmosphere; General procedure: N-(Cyclopropyl)fluorobenzamides (VIa, VIc). Asolution of 45.4 mmol of the correspondingfluorobenzoic acid chloride Va or Vb in 20 mL ofanhydrous dichloromethane was added dropwise uponstirring to a solution of 45.4 mmol of cyclopropylamineIVa and 49.5 mmol of triethylamine in 100 mLof anhydrous dichloromethane at 0C. The mixturewas stirred during 12 h at room temperature, washedwith aqueous NaHCO3 (2 × 50 mL), water (3 ×50 mL), brine (50 mL), and dried over Na2SO4. Afterthe solvent removal, the residue was crystallized fromthe ethyl acetate - hexane 10 : 1 mixture.
  • 2
  • [ 88229-16-7 ]
  • [ 1246084-21-8 ]
  • 3
  • [ 88229-16-7 ]
  • [ 1246083-28-2 ]
  • 4
  • [ 110-85-0 ]
  • [ 88229-16-7 ]
  • [ 1018529-73-1 ]
YieldReaction ConditionsOperation in experiment
15% In dimethyl sulfoxide; at 120℃; for 68.0h; General procedure: To a solution of 4-fluoro-N-methylbenzamide (6 g, 39.2 mmol) in DMSO (Volume: 24.0 mL) was added piperazine (16.87 g, 196 mmol) at 23 C. The reaction was stirred at 120 C for 68 hr. The reaction mixture was poured into ice (261 g) and the reaction vessel was rinsed with H2O (~50 mL). Next, celite (30 g) was added to aid the filtration. The resulting suspension was warmed to 100 C, cooled to ~40 C, filtered, and rinsed with warm H20 (4 x 50 mL). The resulting solid was dried in vacuo. The filtrate was stirred at room temperature overnight affording a suspension. The suspension was filtered, rinsed with H2O (3 x 25 mL), and the resulting solid was dried in vacuo. The cloudy filtrate was filtered once again through a medium fritted funnel and rinsed with H2O (3 x 10 mL). Added NaCl (200.1g) to the filtrate, cooled on ice, filtered, rinsed with cold H2O (3 x 25 mL), and dried the resulting solid in vacuo. Re-suspended the purified product in H2O (30 mL), stirred for 30 min at 23 C, filtered, rinsed with H2O (3 x 5 mL), and dried the resulting solid in vacuo. The purified product was re-suspended in MeCN (25 mL), agitated for 10 min, and dried in vacuo. This procedure was repeated three times to provide N-methyl-4-(piperazin-1-yl)benzamide ( 5.64g, 25.7 mmol, 65.7 % yield) as a white solid.
  • 5
  • [ 456-22-4 ]
  • [ 765-30-0 ]
  • [ 88229-16-7 ]
YieldReaction ConditionsOperation in experiment
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 23℃; for 3.0h; General procedure: To a suspension of 3-chloro-4-fluorobenzoic acid (25.0 g, 143 mmol), Methylamine hydrochloride (11.60 g, 172 mmol), N1-((ethylimino)methylene)-N3,N3-dimethylpropane-1,3-diamine hydrochloride (41.2 g, 215 mmol), and 1H-benzo[d][1,2,3]triazol-1-ol hydrate (32.9 g, 215 mmol) in DMF (Volume: 150 mL) was added 4-methylmorpholine (79 mL, 716 mmol) at 23 C. The reaction was stirred at 23 C for 3 hr. The reaction mixture was diluted with water (500 mL) to furnish a yellow-orange solution. The solution was stirred overnight at 23C affording a suspension. The suspension was filtered, washed with H2O (3 x 100 mL), and the resulting solid was dried in vacuo at 30 C to provide 3-chloro-4-fluoro-N-methylbenzamide ( 14.24 g, 76 mmol, 53.0 % yield) as an off-white solid.
  • 6
  • [ 88229-16-7 ]
  • [ 1192139-71-1 ]
YieldReaction ConditionsOperation in experiment
95.6% With thionyl chloride; at 100℃; for 2.0h;Inert atmosphere; General procedure: N-(R-Cyclopropyl)benzimidoyl chlorides (VII).A mixture of the corresponding amide VI (30 mmol)and thionyl chloride (36 mmol) was heated at 100Cuntil the gas evolution ceased (≈2 h) and distilled invacuum.
  • 7
  • [ 88229-16-7 ]
  • (E)-O,O-diethyl-N-(cyclopropyl)-4-fluorobenzimidoyl phosphonate [ No CAS ]
  • (Z)-O,O-diethyl-N-(cyclopropyl)-4-fluorobenzimidoyl phosphonate [ No CAS ]
  • 8
  • [ 1873-88-7 ]
  • [ 88229-16-7 ]
  • C17H32FNO3Si3 [ No CAS ]
  • 9
  • [ 67-56-1 ]
  • [ 88229-16-7 ]
  • 4-fluoro-N-(3-iodo-1-methoxypropyl)benzamide [ No CAS ]
  • 10
  • [ 88229-16-7 ]
  • [ 25015-63-8 ]
  • [ 70001-45-5 ]
  • C16H23BFNO3 [ No CAS ]
  • 11
  • [ 88229-16-7 ]
  • 4-fluoro-N-(3-fluoro-1-hydroxypropyl)benzamide [ No CAS ]
  • 12
  • [ 88229-16-7 ]
  • 4-fluoro-N-(6-methylthiochroman-4-yl)benzamide [ No CAS ]
  • 13
  • [ 1394826-53-9 ]
  • [ 88229-16-7 ]
  • [ 71-36-3 ]
  • C22H23ClFNO2 [ No CAS ]
  • 14
  • [ 88229-16-7 ]
  • N-(1,3-diazidopropyl)-4-fluorobenzamide [ No CAS ]
 

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