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[ CAS No. 1527-91-9 ]

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Chemical Structure| 1527-91-9
Chemical Structure| 1527-91-9
Structure of 1527-91-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1527-91-9 ]

CAS No. :1527-91-9 MDL No. :MFCD00019730
Formula : C13H12N2 Boiling Point : 346.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :196.25 g/mol Pubchem ID :200127
Synonyms :

Safety of [ 1527-91-9 ]

Signal Word:Danger Class:9
Precautionary Statements:P260-P264-P273-P501 UN#:3077
Hazard Statements:H302-H400-H372 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1527-91-9 ]

  • Downstream synthetic route of [ 1527-91-9 ]

[ 1527-91-9 ] Synthesis Path-Downstream   1~17

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  • [ 5333-86-8 ]
  • [ 62-53-3 ]
  • [ 1527-91-9 ]
YieldReaction ConditionsOperation in experiment
In ethanol at 0 - 20℃; Reflux; Inert atmosphere; Benzamidines 1a-e,h,k-o; General Procedure A General procedure: The required amine (20.0 mmol) was added dropwise at 0 °C to a solution of ethyl benzimidate hydrochloride (10.0 mmol) in EtOH (15mL) and the reaction mixture was stirred at r.t. to reflux overnight. EtOH was removed under a reduced pressure and 1 M aq NaOH (15mL) was added. The mixture was extracted with CHCl3 (3 × 10 mL) and the combined organic phases were dried (MgSO4): The solvent was removed under a reduced pressure and the crude N-substituted benzamidine obtained was used for the next reaction without further purification.
  • 3
  • [ 1527-91-9 ]
  • [ 716-79-0 ]
YieldReaction ConditionsOperation in experiment
90% With oxygen; acetic acid; In acetonitrile; at 80.0℃; for 7.0h;Green chemistry;Catalytic behavior; General procedure: A mixture of benzamidine (1 mmol), HOAc (3 eq.) and alpha-ZrP/Uracil/Cu2+ (20 mg: 1.3 mol%) in CH3CN(3 mL) wasrefluxed at 80 C under the direct flow of O2(followed up byTLC). After consumption of benzamidine, the catalyst wasseparated by centrifugation and the reaction mixture wascooled to room temperature. The catalyst was thoroughlywashed with ethyl acetate, and then, the extraction with ethylacetate (3 × 10 ml) was performed on the reaction mixture.The organic extract was dried over anhydrous CaCl2,and thesolvent was vaporized under reduced pressure. The remainingsolid was purified by recrystallization from ethanol.Product specifications are provided in the supplementaryinformation.
  • 4
  • [ 1527-91-9 ]
  • [ 2712-78-9 ]
  • [ 404-24-0 ]
  • N2-Phenylbenzamidin-N2-ium trifluoroacetate [ No CAS ]
  • 2-(phenyl)benzimidazolium trifluoroacetate [ No CAS ]
  • 5
  • [ 3694-57-3 ]
  • [ 1527-91-9 ]
  • 1-(4-Methoxy-benzyl)-3-[1-phenyl-1-phenylamino-meth-(Z)-ylidene]-thiourea [ No CAS ]
  • 6
  • [ 16735-69-6 ]
  • [ 1527-91-9 ]
  • 1-(2-Methyl-benzyl)-3-[1-phenyl-1-phenylamino-meth-(Z)-ylidene]-thiourea [ No CAS ]
YieldReaction ConditionsOperation in experiment
In 1,2-dichloro-ethane at 55℃;
  • 7
  • [ 615-42-9 ]
  • [ 1527-91-9 ]
  • [ 2622-67-5 ]
YieldReaction ConditionsOperation in experiment
90% With potassium phosphate; 1,10-Phenanthroline; copper(II) oxide In diethylene glycol dimethyl ether at 140℃; for 24h; Inert atmosphere; regiospecific reaction;
58% With copper(l) iodide; caesium carbonate; N,N`-dimethylethylenediamine In 1-methyl-pyrrolidin-2-one at 170℃; Inert atmosphere;
  • 9
  • [ 71838-16-9 ]
  • [ 1527-91-9 ]
  • [ 86318-02-7 ]
  • 10
  • [ 2401-21-0 ]
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  • [ 1217102-13-0 ]
  • 11
  • [ 113264-43-0 ]
  • [ 1527-91-9 ]
  • [ 1261181-00-3 ]
YieldReaction ConditionsOperation in experiment
55% With sodium hydrogencarbonate; In isopropyl alcohol; at 90.0℃; for 12h;Inert atmosphere; A mixture of N-phenylbenzimidamide (compound 22, 1.0 g, 5.10 mmol), 3-bromo-2-oxovalerate (compound 23, 1.3 g, 6.12 mmol) and NaHCO3 in /-PrOH was stirred at 90 C for 12 hrs. The reaction mixture was concentrated under reduced pressure, then the residue was diluted with EtOAc and washed with H2O. The organic layer was dried over anhydrous MgSO4, filtered, and concentrated in vacuo. The crude product was purified by flash column chromatography (Biotage Isolera FLASH Purification System was used for normal phase column chromatography with EtOAc and hexane) to provide the title compound (0.86 g, 55 %) as a yellow solid.
  • 12
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  • [ 1261181-00-3 ]
  • 13
  • [ 96424-68-9 ]
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  • [ 1350629-03-6 ]
  • 14
  • [ 1193-72-2 ]
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  • [ 1350629-00-3 ]
  • 15
  • [ 2732-80-1 ]
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  • [ 1350629-08-1 ]
  • 16
  • [ 95-50-1 ]
  • [ 1527-91-9 ]
  • [ 2622-67-5 ]
YieldReaction ConditionsOperation in experiment
96% With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In toluene at 140℃; for 24h; Molecular sieve; Inert atmosphere; regiospecific reaction;
30% With potassium phosphate; 1,10-Phenanthroline; copper(II) oxide In diethylene glycol dimethyl ether at 140℃; for 24h; Inert atmosphere; regiospecific reaction;
  • 17
  • [ 1527-91-9 ]
  • [ 583-53-9 ]
  • [ 2622-67-5 ]
YieldReaction ConditionsOperation in experiment
99% With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In toluene at 140℃; for 24h; Molecular sieve; Inert atmosphere; regiospecific reaction;
51% With potassium phosphate; 1,10-Phenanthroline; copper(II) oxide In diethylene glycol dimethyl ether at 140℃; for 24h; Inert atmosphere; regiospecific reaction;
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