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Product Details of [ 7126-51-4 ]

CAS No. :7126-51-4 MDL No. :MFCD09754206
Formula : C6H5NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :RHYXVCZQDGPFBX-UHFFFAOYSA-N
M.W : 139.11 Pubchem ID :15160089
Synonyms :

Safety of [ 7126-51-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7126-51-4 ]

* 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 [ 7126-51-4 ]

[ 7126-51-4 ] Synthesis Path-Downstream   1~51

  • 2
  • [ 7126-51-4 ]
  • [ 124-22-1 ]
  • [ 223564-80-5 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 16h; Ambient temperature;
  • 3
  • [ 7126-51-4 ]
  • [ 2491-20-5 ]
  • 2-[(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-propionic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
43% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine
  • 4
  • [ 7126-51-4 ]
  • [ 623-33-6 ]
  • [(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-acetic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine
  • 5
  • [ 7126-51-4 ]
  • [ 6306-52-1 ]
  • 2-[(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-3-methyl-butyric acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
53% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine
  • 6
  • [ 7126-51-4 ]
  • [ 7517-19-3 ]
  • [ 446024-22-2 ]
YieldReaction ConditionsOperation in experiment
90% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine
89% With benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide
61% With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h;
  • 7
  • [ 7126-51-4 ]
  • [ 7524-50-7 ]
  • [ 446024-24-4 ]
YieldReaction ConditionsOperation in experiment
91% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine
71% With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h;
  • 8
  • [ 7126-51-4 ]
  • [ 7625-59-4 ]
  • {2-[(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-3-phenyl-propionylamino}-acetic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
49% With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine
  • 9
  • [ 7126-51-4 ]
  • (S)-methyl 2-(2-amino-4-methylpentanamido)acetate hydrochloride [ No CAS ]
  • 3-[(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-<i>N</i>-methoxycarbonylmethyl-succinamic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine
  • 10
  • [ 7126-51-4 ]
  • [(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-acetic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: FMOC-glycine-Wang resin With piperidine In dichloromethane Stage #2: 5-formyl-1H-pyrrole-2-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine Stage #3: With trifluoroacetic acid In dichloromethane
  • 11
  • [ 2038-03-1 ]
  • [ 7126-51-4 ]
  • [ 346600-20-2 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 20℃;
  • 12
  • [ 7126-51-4 ]
  • [ 38155-19-0 ]
  • [ 635313-73-4 ]
YieldReaction ConditionsOperation in experiment
52% With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h;
  • 13
  • [ 7126-51-4 ]
  • [ 2133-40-6 ]
  • [ 635313-56-3 ]
YieldReaction ConditionsOperation in experiment
74% With 1-hydroxybenzotriazol-hydrate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 16h;
  • 15
  • [ 1197-13-3 ]
  • [ 7126-51-4 ]
YieldReaction ConditionsOperation in experiment
88.0% With methanol; sodium hydroxide; In tetrahydrofuran; at 0℃; for 3h; To a solution of intermediate 1 2a (0.1 g, 0.7 mmol) in mixture of solvents methanol(i mL) and THF(i mL), NaOH (0.13 g, 3.25 mmol) was added and stirred at 0C for 3 h.The solvent was removed under reduced pressure; salt was washed with diethyl ether to remove impurities. It was acidified with 1 N HCI, extracted with ethyl acetate. The combined organic layer was dried and evaporated to yield title product (0.080 g, 88.0%) as beige solid. 1H NMR: (DMSO-d6, 300MHz) 6 13.08(5, iH), i2.89(s, iH), 9.69(s, 1 H), 6.94(s 1 H), 6.84(s 1 H).
88% With sodium hydroxide; In tetrahydrofuran; methanol; at 0℃; for 3h; To a solution of intermediate 12a (0.1 g, 0.7 mmol) in mixture of solvents methanol(i mL) and THF (1 mL), NaOH (0.13 g, 3.25 mmol) was added and stirred at 0 00 for 3h. The solvent was removed under reduced pressure; salt was washed with diethyl ether to remove impurities. It was acidified with 1 N HCI, extracted with ethyl acetate. The combined organic layer was dried and evaporated to yield title product (0.080 g, 88.0%) as beige solid. 1H NMR: (DMSO-d6, 300MHz) 6 13.08(s, 1H), 12.89(s, 1H), 9.69(s, 1 H), 6.94(s 1 H), 6.84(s 1 H).
  • 16
  • [ 836649-52-6 ]
  • [ 7126-51-4 ]
  • [ 836649-54-8 ]
YieldReaction ConditionsOperation in experiment
95 mg With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine In dichloromethane at 20℃; for 64h;
  • 17
  • [ 836649-53-7 ]
  • [ 7126-51-4 ]
  • [ 836649-55-9 ]
YieldReaction ConditionsOperation in experiment
With bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine In dichloromethane at 20℃; for 64h;
  • 18
  • Val-leucinol hydrochloride [ No CAS ]
  • [ 7126-51-4 ]
  • 5-formyl-1H-pyrrole-2-carboxylic acid [(S)-1-((S)-1-hydroxymethyl-3-methylbutylcarbamoyl)-2-methylpropyl]amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; General Procedure for the Coupling of Heterocyclic Carboxylic Acids To a mixture of Val-leucinol hydrochloride (1 mmol) and a heterocyclic carboxylic acid (1 mmol) in anhydrous DMF (10 mL) at room temperature, EDCl (1.3 mmol), HOBt (1.5 mmol) and DIPEA (4 mmol) were added. The reaction mixture was stirred at room temperature overnight. The solution was diluted with EtOAc (100 mL) and was washed with 1M HCl, water and brine. The organic extract was dried over MgSO4. Concentration in vacuo afforded a white solid. 5-Formyl-1H-pyrrole-2-carboxylic acid [(S)-1-((S)-1-hydroxymethyl-3-methyl-butylcarbamoyl)-2-methyl-propyl]-amide 3 Purification by column chromatography (EtOAc/petroleum ether (1:1), rf=0.1) gave the dipeptide as a yellow crystalline solid (5.33 g, 68%). 1H NMR (500 MHz, CDCl3) 0.81-0.86 (6H, d, J=6.5 Hz, 2×CH3), 1.01-1.06 (6H, d, J=6.5 Hz, 2×CH3), 1.37 (2H, m, CH2CH(CH3)2), 1.52-1.57 (1H, m, CH2CH(CH3)2), 1.62 (1H, br s, CH2OH), 2.01-2.05 (1H, m, CH(CH3)2), 3.82-3.86 (2H, m, CH2OH), 4.16-4.18 (1H, m, CHCH2CH(CH3)2), 4.98-5.02 (1H, m, CHCH(CH3)2), 6.82 (1H, s, CHCHpy), 6.90 (1H, s, CHCHpy), 7.72 (1H, d, J=6.5 Hz, CONH), 7.85 (1H, d, J=6.5 Hz, CONHpy), 9.62 (1H, s, CHOpy), 11.80 (1H, br s, NHpy), m/z (ES) 338 ([M+H]+), 100.
39% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃;
  • 19
  • [ 7126-51-4 ]
  • 2-amino-3-[(5-guanidinocarbonyl-1<i>H</i>-pyrrol-2-ylmethyl)-amino]-propionic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: N-methylmorpholine; PyBOP / dimethylformamide / 1 h / 20 °C 1.2: 90 percent / dimethylformamide / 20 °C 2.1: 65 percent / Et3N; NaBH3CN / methanol / 24 h / 20 °C 3.1: CF3COOH / 0.25 h 4.1: H2 / Pd/C / methanol / 4 h
  • 20
  • [ 7126-51-4 ]
  • [ 863201-78-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: N-methylmorpholine; PyBOP / dimethylformamide / 1 h / 20 °C 1.2: 90 percent / dimethylformamide / 20 °C 2.1: 65 percent / Et3N; NaBH3CN / methanol / 24 h / 20 °C 3.1: CF3COOH / 0.25 h
  • 21
  • [ 7126-51-4 ]
  • [ 863201-70-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: N-methylmorpholine; PyBOP / dimethylformamide / 1 h / 20 °C 1.2: 90 percent / dimethylformamide / 20 °C 2.1: 65 percent / Et3N; NaBH3CN / methanol / 24 h / 20 °C
  • 22
  • [ 7126-51-4 ]
  • C17H28N6O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: DCC; HOBt / CH2Cl2 / 2 h / 20 °C 1.2: 40 percent / NMM / CH2Cl2 / 4 h 2.1: 78 percent / NaBH3CN / methanol / 30 h / 20 °C
  • 23
  • [ 7126-51-4 ]
  • N-(5-hydroxymethyl-1H-pyrrole-2-carbonyl)-L-leucine methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 61 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole hydrate; i-Pr2NEt / CH2Cl2 / 16 h / 20 °C 2: 66 percent / LiBH4 / diethyl ether / 1 h / -78 °C
  • 24
  • [ 7126-51-4 ]
  • N-(5-hydroxymethyl-1H-pyrrole-2-carbonyl)-L-proline methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 74 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole hydrate; i-Pr2NEt / CH2Cl2 / 16 h / 20 °C 2: 24 percent / Zn(BH4)2 / diethyl ether / 1 h / 0 °C
  • 25
  • [ 7126-51-4 ]
  • N-(5-hydroxymethyl-1H-pyrrole-2-carbonyl)-L-phenylalanine methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 71 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole hydrate; i-Pr2NEt / CH2Cl2 / 16 h / 20 °C 2: 57 percent / Zn(BH4)2 / diethyl ether / 1 h / 0 °C
  • 26
  • [ 7126-51-4 ]
  • N-(5-hydroxymethyl-1H-pyrrole-2-carbonyl)-L-phenylalanyl-L-leucine methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 52 percent / BOP; i-Pr2NEt / CH2Cl2 / 16 h / 20 °C 2: 68 percent / LiBH4 / tetrahydrofuran / 2 h / -78 - 20 °C
  • 27
  • [ 2199-43-1 ]
  • [ 7126-51-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 61 percent / POCl3 / 1,2-dichloro-ethane / 0.25 h / Heating 2: 60 percent / aq. KOH / 2 h / 40 - 50 °C
Multi-step reaction with 2 steps 1: 50 percent / POCl3 / Heating 2: 75 percent / aq. KOH / ethanol / Heating
Multi-step reaction with 2 steps 1: diethyl ether; CHCl3; HCl 2: ethanolic alkaline solution
  • 28
  • [ 7126-51-4 ]
  • 5-[4-(3-chloro-4-fluoro-phenylamino)-6-oxo-6,7-dihydro-pyrrolo[2,3-<i>d</i>]pyrimidin-5-ylidenemethyl]-1<i>H</i>-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: EDC; HOBt; Et3N / dimethylformamide / 20 °C 2: piperidine / ethanol / 20 °C
  • 29
  • [ 7126-51-4 ]
  • [(5-formyl-1<i>H</i>-pyrrole-2-carbonyl)-amino]-acetic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: piperidine / CH2Cl2 1.2: EDCI; HOBt; DIPEA 1.3: TFA / CH2Cl2
  • 30
  • [ 7126-51-4 ]
  • 2-[(6-benzyl-5-oxo-5<i>H</i>-pyrrolizine-3-carbonyl)-amino]-propionic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 43 percent / EDCI; HOBt; DIPEA 2: 21 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 31
  • [ 7126-51-4 ]
  • [(6-benzyl-5-oxo-5<i>H</i>-pyrrolizine-3-carbonyl)-amino]-acetic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 79 percent / EDCI; HOBt; DIPEA 2: 58 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 32
  • [ 7126-51-4 ]
  • 2-[1-(1-acetoxy-vinyl)-5-formyl-1<i>H</i>-pyrrole-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 90 percent / EDCI; HOBt; DIPEA 2: DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 33
  • [ 7126-51-4 ]
  • 2-[(6-benzyl-5-oxo-5<i>H</i>-pyrrolizine-3-carbonyl)-amino]-3-methyl-butyric acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 53 percent / EDCI; HOBt; DIPEA 2: 35 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 34
  • [ 7126-51-4 ]
  • [ 446024-27-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 90 percent / EDCI; HOBt; DIPEA 2: 55 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 35
  • [ 7126-51-4 ]
  • (S)-2-[5-((Z)-2-Methoxycarbonyl-3-phenyl-propenyl)-1H-pyrrole-2-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 90 percent / EDCI; HOBt; DIPEA 2: 55 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C 3: 80 percent / methanol
  • 36
  • [ 7126-51-4 ]
  • 3-[(6-benzyl-5-oxo-5<i>H</i>-pyrrolizine-3-carbonyl)-amino]-<i>N</i>-methoxycarbonylmethyl-succinamic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 45 percent / BOP; DIPEA 2: 33 percent / DMAP; DIPEA / CH2Cl2 / 24 h / 20 °C
  • 37
  • [ 7126-51-4 ]
  • 5-hydroxymethyl-1<i>H</i>-pyrrole-2-carboxylic acid dodecylamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: EDCI, HOBt / CH2Cl2 / 16 h / Ambient temperature 2: Zn(BH4)2 / diethyl ether / 0 °C
  • 38
  • [ 7126-51-4 ]
  • [ 358732-89-5 ]
  • 5-[5-(2,3-dihydro-indole-1-sulfonyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrole-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With piperidine In ethanol at 20 - 100℃; 2; 9 A mixture of an appropriately substituted oxindole, an appropriately substituted aldehyde (1 equivalent) and piperidine (catalytic amount) in ethanol (0.2 M) was stirred at between room temperature and 100 oC. After completion, the reaction was cooled to room temperature and the resulting precipitate was collected by vacuum filtration, washed with ethanol and dried to give the desired product.
With piperidine In ethanol at 20 - 100℃; 9 [0307] A mixture of an appropriately substituted oxindole, an appropriately substituted aldehyde (1 equivalent) and piperidine (excess) in ethanol (0.2 M) was stirred at between room temperature and 100° C. After completion, the mixture was concentrated and then triturated with dilute hydrochloric acid solution. The resulting precipitate was collected by vacuum filtration, washed with water and dried to give the desired product.
  • 39
  • [ 7126-51-4 ]
  • [ 133894-44-7 ]
  • C12H8N4O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With 4-methyl-morpholine In N,N-dimethyl-formamide at 20℃; for 0.166667h;
  • 40
  • [ 7126-51-4 ]
  • [ 74-88-4 ]
  • [ 1198-75-0 ]
  • 41
  • [ 7126-51-4 ]
  • [ 16706-54-0 ]
  • [ 1031749-07-1 ]
YieldReaction ConditionsOperation in experiment
53% Stage #1: 5-formyl-1H-pyrrole-2-carboxylic acid With 4-methyl-morpholine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: N-Cbz-guanidine In N,N-dimethyl-formamide
  • 43
  • 2-amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one [ No CAS ]
  • [ 7126-51-4 ]
  • [ 1196887-48-5 ]
YieldReaction ConditionsOperation in experiment
73% In ethanol at 60℃; for 8h; III-80.1 To the mixture of 2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)- 5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one (400 mg, 1.2 mmol) in EtOH (70 ml) was added 5- formyl-lH-pyrrole-2-carboxylic acid (167 mg, 1.2 mmol) and a drop of piperidine. The resulting solution was stirred for 8 hr at 600C. The reaction mixture was filtered and the solid was washed with cold EtOH, and then dried under vacuum to afford (Z)-5-((2-amino-4- chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-6-oxo-6,7-dihydro-5H-pyrrolo[2,3- d]pyrimidin-5-ylidene)methyl)-lH-pyrrole-2-carboxylic acid as a brown solid (400 mg, 73%).
  • 45
  • [ 7126-51-4 ]
  • [ 1621584-34-6 ]
  • 5-((6-(3-(4-methoxybenzoyl)ureido)-2-oxoindolin-3-ylidene)methyl)-1H-pyrrole-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
59% With pyrrolidine In ethanol at 100℃; for 0.25h; Microwave irradiation; 1 4.1.12 General procedure for the synthesis of benzoylureido-3-(pyrrol-2-ylmethylidene)indolin-2-one derivatives General procedure: A catalytic amount of pyrrolidine (0.001mmol) was added into a stirred ethanol solution (5mL) containing benzoylureidoindolin-2-one (1mmol) and the appropriate pyrrole-2-carbaldehyde (1.2mmol). The reaction was irradiated with microwaves (CEM, Discover) at 100°C for 15min. The crude product precipitated with cooling
  • 46
  • [ 1193-62-0 ]
  • [ 7126-51-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: trichlorophosphate / 0 - 20 °C 2: methanol; sodium hydroxide / tetrahydrofuran / 3 h / 0 °C
  • 47
  • [ 7126-51-4 ]
  • C26H19F3N8O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 12 h 2: potassium permanganate / water; acetone 3: dicyclohexyl-carbodiimide; dmap; 1,2,3-Benzotriazole / dichloromethane; N,N-dimethyl-formamide / 16 h
  • 48
  • [ 7126-51-4 ]
  • 5-((4-(pyridin-3-yl)pyrimidine-2-yl)carbamoyl)-1H-pyrrol-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dicyclohexyl-carbodiimide; dmap / dichloromethane / 12 h 2: potassium permanganate / water; acetone
  • 49
  • [ 7126-51-4 ]
  • [ 66521-66-2 ]
  • N-(4-(pyridin-3-yl)pyrimidine-2-yl)-5-formyl-1H-pyrrol-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
45% With dmap; dicyclohexyl-carbodiimide In dichloromethane for 12h; N-(4-(Pyridin-3-yl)pyrimidine-2-yl)-5-formyl-1Hpyrrol-2-carboxamide (11) DMAP (122 mg, 1 mmol)and a solution of amine (10) (172 mg, 1 mmol) inCH2Cl2 (5 mL) were successively added to a suspensionof compound (7) (139 mg, 1 mmol) in CH2Cl2(10 mL). Then, DCC (227 g, 1.1 mmol) was pouredinto the reaction mixture. The reaction mixture wasstirred for 12 h. The sediment was filtered and washedon a filter with CH2Cl2. A saturated NaHSO3 solution(20 mL) was added to the reaction mixture. The aqueouslayer was separated and acidified with 2 M HCl topH 4. After extraction with EtOAc (3 × 20 mL), thecombined organic phase was washed with a saturatedNaCl solution (1 × 20 mL) and dried over Na2SO4.The drying agent was filtered off, and the solvent wasevaporated under low pressure Product (11) was isolatedby column chromatography on silica gel (toluene-acetone 7 : 3) as white crystals. Yield 132 mg(45%); Rf 0.24 (toluene-acetone 7 : 3); mp 174.3°.1H NMR (DMSO-d6): 7.03-7.05 (m, 1 H), 7.06-7.08(m, 1 H), 7.13 (d, J 5.3, 1H), 7.55 (dd, J 4.7, 8.1, 1H),8.18 (d, J 8.1, 1H), 8.67 (d, J 5.3, 1H), 8.73 (d, J 4.7,1H), 9.04 (s, 1H), 9.32 (s, 1 H), 11.95 (br s, 1 H), 12.26 (br s, 1 H). 13 NMR (DMSO-d6): 106.55, 107.98,109.73, 115.28, 122.01, 124.55, 132.91, 135.645,136.63, 147.32, 150.58, 157.53, 159.47, 160.12, 175.44.
  • 50
  • [ 7126-51-4 ]
  • [ 66521-66-2 ]
  • C15H13N5O2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
50% With sodium tris(acetoxy)borohydride In chloroform at 0 - 20℃; for 13h; 5-(4-(Pyridin-3-ylpyrimidine-2-yl)aminometyl-1H-pyrrol-2-carboxylic acid (14) Anhydrous AcOH(14 mL, 244 mmol) was added for 1 h at 0-5° to asuspension of NaBH4 (2.00 g, 53 mmol) in CHCl3 (22mL). The mixture was additionally stirred at 0-5°for 1.5 h. Aldehyde acid (7) (3.480 g, 25 mmol) and asolution of amine (10) (4.472 g, 26 mmol) in CHCl3(12 mL) were added to the resulting suspension, andthe mixture was stirred for 1 h at 0-5° and then for12 h at room temperature. To the mixture, H2O(15mL) and Na2CO3 were added to a pH value of 9-10.The aqueous phase was washed with CHCl3 (3 × 10 mL).Then, the pH of the solution was brought to 4 with a1M HCl solution. The precipitate was filtered andwashed with H2O on a filter. The resulting yellow crystalswere dried in a vacuum at room temperature. Yield50% (3.688 g); Rf 0.23 (MeOH-CHCl3 1 : 8); mp186.23°. 1H NMR (DMSO-d6): 2.48 (s, 2), 4.52(m, 1), 6.01 (m, 1), 6.60 (m, 1), 7.23 (d, J 5.16,1), 7.55 (br s, 1), 7.58 (dd, J 4.94, 8.03, 1), 8.39(d, J 5.00, 1), 8.50 (m, 1), 8.68 (d, J 5.00, 1),9.25 (m, 1), 11.48 (br s, 1). 13 NMR (DMSO-d6,): 37.70, 106.56, 107.99, 109.71, 115.27, 122.02,124.56, 132.90, 135.65, 136.64, 147.33, 150.59, 159.47,162.01, 164.45. IR (in KBr, , cm-1): 3436, 1668.
  • 51
  • [ 7126-51-4 ]
  • 5'-d(GAGTCA→phosphato→(1-O-triethylene glycol-10-O)→phosphato→[1-O-(2-(4-(3,4-diaminobenzoylamino)butyl)-1,3-dioxypropyl)-3-O]→phosphato→(1-O-triethylene glycol-10-O)→TGACTCCC)-3' [ No CAS ]
  • 5'-d(GAGTCA→phosphato→(1-O-triethylene glycol-10-O)→phosphato→[1-O-(2-(4-(2-(5-carboxy-1H-pyrrol-2-yl)-1H-1,3-benzodiazol-5-carbonylamino)butyl)-1,3-dioxypropyl)-3-O]→phosphato→(1-O-triethylene glycol-10-O)→TGACTCCC)-3' [ No CAS ]
YieldReaction ConditionsOperation in experiment
With di(p-tolyl) disulfide In N,N-dimethyl acetamide; lithium hydroxide monohydrate; dimethyl sulfoxide at 25℃; for 4h; Irradiation;
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