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[ CAS No. 211374-81-1 ] {[proInfo.proName]}

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Chemical Structure| 211374-81-1
Chemical Structure| 211374-81-1
Structure of 211374-81-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 211374-81-1 ]

CAS No. :211374-81-1 MDL No. :MFCD09043062
Formula : C7H7ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :XTCHLLLRWDYHRD-UHFFFAOYSA-N
M.W :170.60 Pubchem ID :11435193
Synonyms :

Safety of [ 211374-81-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 211374-81-1 ]

* 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 [ 211374-81-1 ]

[ 211374-81-1 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 3011-89-0 ]
  • [ 211374-81-1 ]
  • 2
  • [ 14301-31-6 ]
  • [ 211374-81-1 ]
  • 2-Chloro-4-([2-(3,4-dimethoxy-phenyl)-ethylcarbamoyl]-methyl}-amino)-benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 160℃; for 5h;
  • 4
  • [ 1967-27-7 ]
  • [ 211374-81-1 ]
YieldReaction ConditionsOperation in experiment
94% With aluminium trichloride for 0.075h; microwave irradiation;
  • 5
  • [ 7073-36-1 ]
  • [ 211374-81-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: aqueous ammonia 2: platinum; ethanol / Hydrogenation
  • 6
  • [ 2457-76-3 ]
  • [ 211374-81-1 ]
YieldReaction ConditionsOperation in experiment
79% With ammonium chloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide); at 20℃; (a) Synthesis of 4-amino-2-chlorobenzamide Ammonium chloride (1.07 g, 20.0 mmol), 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (2.88 g, 15.0 mmol), 1-hydroxybenzotriazole monohydrate (2.03 g, 15.0 mmol) and diisopropylethylamine (7.0 ml, 40.2 mmol) were added to a solution of <strong>[2457-76-3]4-amino-2-chlorobenzoic acid</strong> (858 mg, 5.00 mmol) in N,N-dimethylformamide (50 ml), and the resulting mixture was stirred overnight at room temperature. After completion of the reaction, the reaction mixture was poured into a saturated aqueous sodium hydrogencarbonate solution and the precipitate formed was filtered off. Sodium chloride was added to the filtrate, followed by extraction with ethyl acetate and chloroform. The organic layer was dried over magnesium sulfate and then filtered. The filtrate was concentrated and the crude product thus obtained was purified by a silica gel column chromatography (eluent: chloroform/methanol = 50/1) to obtain 4-amino-2-chlorobenzamide (673 mg, 79%).
  • 7
  • rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid [ No CAS ]
  • [ 211374-81-1 ]
  • rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (4-carbamoyl-3-chloro-phenyl)-amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With N-ethyl-N,N-diisopropylamine; HATU In dichloromethane at 20℃; for 1.5h; 272 Example 272; Preparation of rac (2R,3S,4R,5S)-3-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (4-carbamoyl-3-chloro-phenyl)-amide To a stirred solution of rac (2R,3S,4R,5S)-3-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (100 mg, 0.17 mmol) in methylene chloride (10 mL), HATU (Aldrich, 98 mg, 0.26 mmol) was added followed by the addition of DIPEA(0. 150 mL, 0.855 mmol) and 4-amino-2-chloro-benzamide(Chembridge, 58 mg, 0.34 mmol). The mixture was stirred at rt for 1.5 hr. The reaction was quenched with addition of water. The mixture was extracted with methylene chloride (2×10 mL) and the extracts were dried with magnesium sulfate. The solvent was removed and the residue was purified on a reverse phase HPLC to give a white solid. 6 mg.MS (ES+) m/z Calcd: [(M+H)+]: 619, found: 619
  • 10
  • [ 211374-81-1 ]
  • [ 1270120-21-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: hydrogenchloride; sodium nitrite / -10 - -5 °C 1.2: -10 - -5 °C 2.1: acetic acid / 12 h / Reflux 3.1: diethylamine / ethanol / 50 °C
YieldReaction ConditionsOperation in experiment
64% With tin(II) chloride dihdyrate In ethanol for 3h; Reflux; 132.2 General procedure: 3.29 mg 2-Chloro-5-nitro-benzamide (obtained in Step 1) (16.4 mmol) was dissolved in 100 ml ethanol and 14.80 g SnCl2×2H2O (65.6 mmol) was added. The mixture was refluxed for 3 hours. Then it was poured onto 400 g ice and the pH was basified by addition of 5M NaOH solution. Mixture was extracted four times with 150-150 ml ethyl acetate. The combined organic layer was washed with brine, dried over MgSO4 and evaporated to dryness. Residue was refluxed in 50 ml acetonitril. Yellow solid was filtered off after cooling the suspension back to room temperature. Filtrate was evaporated under reduced pressure and used up in the next step without any further purification or analytical investigation. Yield: 2.6 g (93%).
  • 12
  • [ 20925-27-3 ]
  • [ 211374-81-1 ]
YieldReaction ConditionsOperation in experiment
75% With dihydrogen peroxide; potassium carbonate; In water; dimethyl sulfoxide; at 0 - 35℃; for 1.66h; (Step 1) (1083) To a solution of <strong>[20925-27-3]4-amino-2-chlorobenzonitrile</strong> (300 mg, 1.97 mmol) and potassium carbonate (80 mg, 0.295 mmol) in DMSO (1 mL) was added 30% aqueous hydrogen peroxide at 0C, and the mixture was stirred at 0C for 10 min, and then at room temperature for 1.5 hr. To the reaction mixture was added ethyl acetate, the organic layer was washed with water and saturated brine, and dried over sodium sulfate, and the solvent was evaporated under reduced pressure. The obtained crude crystals were washed with a mixed solvent of 50% diethyl ether/hexane to give 4-amino-2-chloro-benzamide (250 mg, 75%) as a brown solid. 1H-NMR(400MHz,DMSO-d6):delta5.67(s,2H),6.47(dd,1H,J=6.32,2.06Hz),6.57(d,1H,J=2.00Hz),7 .16(brs,1H),7.22(d,1H,J=8.36Hz),7.40(brs,1H).
  • 13
  • 4-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-6-ylcarbamoyl)-3-methylbutyric acid [ No CAS ]
  • [ 211374-81-1 ]
  • C23H26ClN7O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate; N,N-dimethyl-formamide at 10 - 35℃; for 20h; 137.7 (Step 7) (Step 7) (1089) To a solution of 4-amino-2-chlorobenzamide (117 mg, 0.689 mmol) and 4-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-6-ylcarbamoyl)-3-methylbutyric acid (100 mg, 0.275 mmol) in a mixed solvent of DMF (0.3 mL) and ethyl acetate (3 mL) were added DIEA (0.12 mL, 0.689 mmol) and T3P (50% ethyl acetate solution, 0.2 mL, 0.689 mmol) at room temperature, and the mixture was stirred at room temperature for 6 hr. To the reaction mixture were added DIEA (0.12 mL, 0.689 mmol) and T3P (50% ethyl acetate solution, 0.2 mL, 0.689 mmol), and the mixture was stirred at room temperature for 14 hr. To the reaction mixture was added ethyl acetate, the organic layer was washed with water and saturated brine, and dried over sodium sulfate, and the solvent was evaporated under reduced pressure to give crude 3-methylpentanedicarboxylic acid (4-carbamoyl-3-chloro-phenyl)amide(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-6-yl)amide.
  • 14
  • 4-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-6-ylcarbamoyl)-3-methylbutyric acid [ No CAS ]
  • [ 211374-81-1 ]
  • N-(3-chloro-4-cyanophenyl)-N'-(1,3-diethyl-2,4-dioxo-1,2,3,4-tetrahydropteridin-6-yl)-3-methylpentanediamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / N,N-dimethyl-formamide; ethyl acetate / 20 h / 10 - 35 °C 2: N-ethyl-N,N-diisopropylamine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / ethyl acetate / 6 h / Reflux
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