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Chemical Structure| 51521-95-0 Chemical Structure| 51521-95-0

Structure of 51521-95-0

Chemical Structure| 51521-95-0

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Product Details of [ 51521-95-0 ]

CAS No. :51521-95-0
Formula : C6H8ClNO3
M.W : 177.59
SMILES Code : O=C(O)C1=CC=C(CN)O1.[H]Cl
MDL No. :MFCD20731136
InChI Key :VZBDETJVJSTWPP-UHFFFAOYSA-N
Pubchem ID :56807544

Safety of [ 51521-95-0 ]

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

Application In Synthesis of [ 51521-95-0 ]

* 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 [ 51521-95-0 ]

[ 51521-95-0 ] Synthesis Path-Downstream   1~10

  • 1
  • ethyl 5-(aminomethyl)furan-2-carboxylate hydrochloride [ No CAS ]
  • [ 51521-95-0 ]
  • 2
  • C14H21N4O3(1+)*Cl(1-) [ No CAS ]
  • [ 51521-95-0 ]
  • 3
  • [ 2528-00-9 ]
  • [ 51521-95-0 ]
  • 4
  • [ 51521-75-6 ]
  • [ 51521-95-0 ]
  • 2-(5-carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; sodium hydrogencarbonate; triethylamine; EXAMPLE 32 2-(5-Carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid A mixture of 2,4-dichloro-5-methylsulfonylbenzoic acid (3.50 g.; 0.013 mole), <strong>[51521-95-0]5-aminomethyl-2-furancarboxylic acid hydrochloride</strong> (4.83 g.; 0.027 mole), triethylamine (11.5 ml.), and glyme (25 ml.) is heated to 140-150 C. for 24 hours. Solid sodium bicarbonate (5.0 g.) is added and refluxing is continued for another 24 hours. The mixture is poured into water (150 ml.) and acidified by the addition of 6N hydrochloric acid. The tan solid is collected, washed with water, and dried, 1.20 g., m.p. 269-272 C. Recrystallization from acetonitrile gives 2-(5-carboxyfurfurylamino)-4-chloro-5-methylsulfonylbenzoic acid, m.p. 263.5-265.5 C. (dec.). Analysis calculated for C14 H12 ClNO7 S: C, 44.98; H, 3.24; N, 3,75; Found: C, 45.29; H, 3.30; N, 3.82.
  • 5
  • [ 934-65-6 ]
  • [ 51521-95-0 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogenchloride; In water; 5-(Aminomethyl)furan-2-carboxylic acid (25.0 mg, 0.18 mmol) was dissolved in 2 N HCl (5 mL) followed by solvent removal under reduced pressure. This was repeated twice to yield 5-(aminomethyl)furan-2-carboxylic acid hydrochloride as an off white powder (31.5 mg, 100%). 1H NMR (500 MHz, MeOD) delta 7.22 (d, J = 3.3 Hz, 1H), 6.71 (d, J = 3.3 Hz, 1H), 4.25 (s, 2H). 13C NMR (126 MHz, MeOD) delta 161.27, 152.05, 147.49, 119.76, 113.69, 36.80. HRMS (ESI): Calcd for C6H7NO3 [M-H]- 140.0353; found 140.0343.
  • 7
  • [ 160938-85-2 ]
  • [ 51521-95-0 ]
  • 8
  • [ 6338-41-6 ]
  • [ 51521-95-0 ]
  • 9
  • [ 39238-09-0 ]
  • [ 51521-95-0 ]
  • 10
  • 5-(azidomethyl)furan-2-carboxylic acid [ No CAS ]
  • [ 51521-95-0 ]
 

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