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[ CAS No. 113118-82-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 113118-82-4
Chemical Structure| 113118-82-4
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Product Details of [ 113118-82-4 ]

CAS No. :113118-82-4 MDL No. :MFCD08457773
Formula : C6H4ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :BCELHNLIYYAOLV-UHFFFAOYSA-N
M.W : 141.56 Pubchem ID :14444196
Synonyms :

Safety of [ 113118-82-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P280-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H317-H319 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 113118-82-4 ]

* 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 [ 113118-82-4 ]

[ 113118-82-4 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 462-94-2 ]
  • [ 113118-82-4 ]
  • <i>N</i>-(5-chloro-[3]pyridylmethyl)-pentanediyldiamine [ No CAS ]
  • 2
  • [ 141-82-2 ]
  • [ 113118-82-4 ]
  • [ 118419-97-9 ]
  • 3
  • [ 113118-73-3 ]
  • [ 113118-82-4 ]
  • 4
  • [ 117830-18-9 ]
  • [ 113118-82-4 ]
  • 5
  • [ 113118-82-4 ]
  • [ 118420-36-3 ]
  • 6
  • [ 20825-98-3 ]
  • [ 113118-82-4 ]
  • 7
  • [ 626-60-8 ]
  • [ 113118-82-4 ]
  • 8
  • [ 113118-67-5 ]
  • [ 113118-82-4 ]
  • 9
  • [ 22620-27-5 ]
  • [ 113118-82-4 ]
YieldReaction ConditionsOperation in experiment
27% EXAMPLE 7; 2-Amino-4-(5-chloro-pyridin-3-yl)-3-cyano-7-methyl-4H-pyrrolo[2,3-h]chromene; a) 5-Chloro-pyridine-3-carbaldehyde:; To a solution of oxalyl chloride (2.0 M solution in CH2Cl2, 30.0 mL, 60.0 mmol) in anhydrous CH2Cl2 (20.0 mL) cooled at 0 C., was added anhydrous DMF (3.0 mL, 38 mmol) dropwise, resulting in a white precipitate. The ice bath was removed and the white suspension was allowed to warm to room temperature. The white precipitate was filtered and collected on a sintered glass funnel. To a suspension of the above white precipitate (0.487 g, 3.81 mmol) in anhydrous acetonitrile (5.86 mL) and anhydrous THF (11.91 mL) at -55 C. was added pyridine (0.043 mL, 0.53 mmol) and 5-chloronicotinic acid (0.200 g, 1.27 mmol). The white suspension was warmed to room temperature over the next 3 h and then cooled to -78 C. While maintaining the internal temperature below -70 C., CuI (0.010 g) was added followed by the dropwise addition of LiAlH(t-BuO)3 (1.0 M solution in THF, 0.646 g, 2.54 mmol). The internal temperature was maintained below -70 C. for an additional 0.5 h and then the reaction was quenched with 2.0 N HCl (3 mL). The suspension was warmed to room temperature and diluted with ethyl acetate (150 mL), dried over Na2SO4, filtered through sintered glass and concentrated to a brown residue. The residue was purified by column chromatography (elution with EtOAC:hexanes, 1:4), and yielded 0.0484 g (27%) of the title compound as a white solid. 1H NMR (CDCl3): 10.11 (s, 1H), 8.95 (d, J=1.93 Hz, 1H), 8.81 (d, J=2.47 Hz, 1H), 8.15 (dd, J=2.47, 1.93 Hz, 1H).
  • 10
  • N-cyclopropylguanidine hydrochloride [ No CAS ]
  • [ 113118-82-4 ]
  • [ 105-56-6 ]
  • [ 945002-16-4 ]
YieldReaction ConditionsOperation in experiment
26% With potassium carbonate; In ethanol; at 75℃; for 18h; 3-Chloro-5-formylpyridine (0.50 g, 3.57 mmol), ethylcyanoacetate (0.40 g, 3.57 ramol), N- cyclopropylguanidine.HCl (0.48 g, 3.57 mmol), and potassium carbonate (0.54 g, 3.92 mmol) was stirred in ethanol (20 mL) at 75 0C for 18 hours. The reaction mixture was partitioned between ethyl acetate and water. The organic layer was separated and concentrated to give a residue which was purified using flash chromatography (100% EtOAc) to give 5-cyano-4-(3- chloro-5-pyridyl)-2-cydopropylamino-6-oxopyrimidine (0.26 g, 26%). MS m/z calculated for (M + H)+ 287, found 287.
  • 11
  • [ 1022157-73-8 ]
  • [ 113118-82-4 ]
  • [ 1022156-49-5 ]
YieldReaction ConditionsOperation in experiment
16% With triethylamine; In methanol; at 20℃; 5.1.96 EXAMPLE 96: SYNTHESIS OF 2-(5-CHLOROPYRIDIN- 3-YL)-8-OXO-9-(2-(TRIFLUOROMETHYL)PHENYL)-8,9-DIHYDRO-7H-PURINE-6-CARBOXAMIDE; EPO <DP n="136"/>[00432] A. Z-CS-Chloropyridin-S-yO-S-oxo^-CZ^trifluoromethyOphenyO-S^- dihydro-7H-purine-6-carboxamide. (Z)-l-(2-Amino-l ,2-dicyanovinyl)-3-(2- (trifluoromethyl)phenyl)urea {See Example 50.A) (0.15 g, 0.51 mmol), 5- chloronicotinaldehyde (0.14 g, 0.99 mmol), and triethylamine (0.10 ml, 0.72 mmol) were combined in methanol (7.0 mL) and stirred at room temperature overnight. Excess solvent was removed under reduced pressure and the resulting residue was purified by reverse-phase preparatory HPLC (30-80% acetonitrile + 0.1% TFA in H2O + 0.1% TFA, over 30 min). Clean fractions were neutralized with ammonium hydroxide and solvent removed under reduced pressure. The resulting material was taken up in ethyl acetate, washed successively with potassium carbonate, water, and brine. The solution was dried over sodium sulfate, filtered and solvent removed under reduced pressure to provide the product as an off white solid (0.035 g, 0.08 mmol, 16% yield). 1H NMR (400 MHz, DMSO-^5) delta 12.07 (bs, IH), 9.23 (s, IH), 8.95 (s, IH), 8.59 (m, 2H), 7.93 (m, 2H), 7.78 (m, 2H), 7.63 (bs, IH); MS (ESI) m/z 435.0 [M+l]+; mp 230-2320C.
  • 12
  • [ 1062205-68-8 ]
  • [ 113118-82-4 ]
  • [ 1208308-08-0 ]
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