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[ CAS No. 86688-96-2 ] {[proInfo.proName]}

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Chemical Structure| 86688-96-2
Chemical Structure| 86688-96-2
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Product Details of [ 86688-96-2 ]

CAS No. :86688-96-2 MDL No. :MFCD09800534
Formula : C6H7NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 125.13 Pubchem ID :-
Synonyms :

Safety of [ 86688-96-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 86688-96-2 ]

* 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 [ 86688-96-2 ]

[ 86688-96-2 ] Synthesis Path-Downstream   1~53

  • 1
  • [ 33941-15-0 ]
  • [ 86688-96-2 ]
  • N-pyrrol 3-ylacetyl monoaza 18-crown-6 [ No CAS ]
  • 2
  • [ 109-97-7 ]
  • [ 104-87-0 ]
  • [ 86688-96-2 ]
  • ((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid [ No CAS ]
  • 3
  • [ 109-97-7 ]
  • [ 86688-96-2 ]
  • [ 100-52-7 ]
  • ((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-acetic acid [ No CAS ]
  • 4
  • [ 2788-84-3 ]
  • [ 86688-96-2 ]
  • [ 132081-32-4 ]
  • 5
  • [ 4070-48-8 ]
  • [ 86688-96-2 ]
  • [ 132081-34-6 ]
  • 6
  • [ 15411-43-5 ]
  • [ 86688-96-2 ]
  • [ 134226-30-5 ]
  • 7
  • [ 1520-21-4 ]
  • [ 86688-96-2 ]
  • [ 134226-28-1 ]
  • 8
  • [ 1592-20-7 ]
  • [ 86688-96-2 ]
  • [ 134226-20-3 ]
  • 9
  • [ 86688-97-3 ]
  • [ 86688-96-2 ]
  • 10
  • [ 41775-76-2 ]
  • [ 86688-96-2 ]
  • N-pyrrol-3-ylacetyl monoaza 12-crown-4 [ No CAS ]
  • 11
  • [ 86688-96-2 ]
  • [ 50-00-0 ]
  • 12
  • [ 86688-96-2 ]
  • [ 24461-61-8 ]
  • [ 132081-36-8 ]
  • 13
  • [ 771-61-9 ]
  • [ 86688-96-2 ]
  • pentafluorophenyl 1H-pyrrole-3-acetate [ No CAS ]
  • 14
  • [ 111-77-3 ]
  • [ 86688-96-2 ]
  • (1H-pyrrol-3-yl)acetic acid 2-(2-methoxyethoxy)ethyl ester [ No CAS ]
  • 15
  • [ 1565-80-6 ]
  • [ 86688-96-2 ]
  • (1H-Pyrrol-3-yl)-acetic acid (S)-2-methyl-butyl ester [ No CAS ]
  • 16
  • [ 109-86-4 ]
  • [ 86688-96-2 ]
  • (1H-pyrrol-3-yl)acetic acid 2-methoxyethyl ester [ No CAS ]
  • 17
  • [ 75-89-8 ]
  • [ 86688-96-2 ]
  • (1H-pyrrol-3-yl)acetic acid 2,2,2-trifluoroethyl ester [ No CAS ]
  • 18
  • [ 375-01-9 ]
  • [ 86688-96-2 ]
  • (1H-pyrrol-3-yl)acetic acid 2,2,3,3,4,4,4-heptafluorobutyl ester [ No CAS ]
  • 19
  • [ 86688-96-2 ]
  • 2-(3-methylsulfanylpropylsulfanyl)ethanol [ No CAS ]
  • (1H-pyrrol-3-yl)acetic acid 2-(3-methylsulfanylpropylsulfanyl)ethyl ester [ No CAS ]
  • 20
  • [ 138779-98-3 ]
  • [ 86688-96-2 ]
YieldReaction ConditionsOperation in experiment
94% 2.87 mL NaOH (5 N) in 2.30 mL methanol was added to N-tosyl-3-methylacetatel pyrrole 10 (260.8 mg, 0.89 mmol) and refluxed for 2 h. The methanol was removed and the residue was washed with diethyl ether and acidified by using a gradient of aqueous HCl in the range of 5 N-0.5 N to pH 3, and finally extracted four times with diethyl ether. The solution was dried over Na2SO4 anhydrous. After removal of the solvent, 3-acetic acid pyrrole 11 was obtained as a white solid (yield 105 mg, 0.84 mmol, 94%). The product was recognized by 1H NMR spectra [16] .
  • 21
  • [ 137-32-6 ]
  • [ 86688-96-2 ]
  • (1H-pyrrol-3-yl)acetic acid 2-methylbutyl ester [ No CAS ]
  • 22
  • [ 86688-96-2 ]
  • [ 111-27-3 ]
  • (1H-pyrrol-3-yl)acetic acid hexyl ester [ No CAS ]
  • 23
  • [ 86688-96-2 ]
  • [ 530-62-1 ]
  • 1-imidazol-1-yl-2-(1<i>H</i>-pyrrol-3-yl)-ethanone [ No CAS ]
  • 24
  • [ 186581-53-3 ]
  • [ 86688-96-2 ]
  • 1-diazo-(3-pyrrolyl)-2-propanone [ No CAS ]
  • 25
  • [ 86688-96-2 ]
  • 4,6-dihydrocyclopenta[b]pyrrol-5(1H)-one [ No CAS ]
  • 26
  • [ 86688-96-2 ]
  • Pyrrol-3-ylacetyl L-histidine methyl ester [ No CAS ]
  • 28
  • [ 86688-96-2 ]
  • 2-((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-N-(3-vinyl-phenyl)-acetamide [ No CAS ]
  • 29
  • [ 86688-96-2 ]
  • 2-((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-N-(4-vinyl-phenyl)-acetamide [ No CAS ]
  • 30
  • [ 86688-96-2 ]
  • ((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid 4-vinyl-benzyl ester [ No CAS ]
  • 31
  • [ 86688-96-2 ]
  • ((4Z,10Z,15Z,19Z)-5,10,15,20-Tetraphenyl-22,24-dihydro-porphin-2-yl)-acetic acid; compound with triethyl-amine [ No CAS ]
  • 32
  • [ 86688-96-2 ]
  • ((4Z,10Z,15Z,19Z)-5,10,15,20-Tetra-p-tolyl-22,24-dihydro-porphin-2-yl)-acetic acid; compound with triethyl-amine [ No CAS ]
  • 33
  • [ 81453-98-7 ]
  • [ 86688-96-2 ]
YieldReaction ConditionsOperation in experiment
70% Preparation of (3-pyrrolyl)acetic acid: In a 100-cm3 flask equipped with a condenser, the above-mentioned product (10.5 mmoles) was introduced together with 30 cm3 of methanol. Next, 30 cm3 of a 5N sodium hydroxide aqueous solution was added thereto, and reaction was then carried out under reflux for 2.5 hours. Afterward, the solvent was evaporated, and the aqueous phase was washed with ethyl acetate, acidified to pH 3 with concentrated hydrochloric acid (10 cm3), and then extracted with diethyl ether. The used solvent was evaporated from the organic phase under reduced pressure in order to obtain 0.93 g of brown crystals (molecular weight=125; yield=70%). Melting point=90 C. NMR (DMSOd6) ppm 12.0 1H; 10.6 1H; 6.7 2H; 6.0 1H; 3.36 s 2H. IR (cm-1) 3383, 1696, 1416, 1399, 1340, 1279, 1212, 1071.
  • 35
  • [ 877455-69-1 ]
  • [ 86688-96-2 ]
  • [ 1253640-94-6 ]
  • 36
  • [ 1253640-90-2 ]
  • [ 86688-96-2 ]
  • [ 1253640-92-4 ]
  • 37
  • [ 552888-06-9 ]
  • [ 86688-96-2 ]
  • [ 1253640-93-5 ]
  • 38
  • [ 16130-32-8 ]
  • [ 86688-96-2 ]
  • [ 1414702-04-7 ]
YieldReaction ConditionsOperation in experiment
62% With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20.0℃; EDCI (183 mg, 1.0 mmol), DMAP (6 mg, 0.05 mmol), and 12 (168 mg, 0.3 mmol) were added to a solution of <strong>[86688-96-2]2-<strong>[86688-96-2](1H-pyrrol-3-yl)acetic acid</strong></strong> 11 (54 mg, 0.4 mmol) in dichloromethane (1.2 mL) and stirred overnight at r.t.. Upon dilution with water, the aqueous solution was extracted with dichloromethane (4 × 4 mL). The combined organic layer was washed with water (4 mL), dried (Na2SO4), filtered, and the solvent concentrated in vacuo. The residue was chromatographed on silica gel (hexane/ethyl acetate = 7/3) to afford the esters 13 as a yellow oil (yield 120 mg, 0.3 mmol, 62%); Rf = 0.38 (hexane/ethyl acetate, 6/4). 1H NMR (CDCl3, 300 MHz, 25 C): delta = 2.32 (s, 3H, CH3CN); 3.00 (t, J = 7.2 Hz, 2H, CCH2CH2O); 3.51 (s, 2H, CCH2CO); 3.84 (s, 3H, OCH3); 4.29 (t, J = 7.2 Hz, 2H, CCH2CH2O); 6.13-6.15 (m, 1H, CHarom); 6.65-6.68 (m, 2H, CHarom); 6.71-6.73 (m, 1H, CHarom); 6.89 (d, J = 8.6 Hz, 1H, CHarom); 6.97 (d, J = 2.5 Hz, 1H, CHarom); 7.45-7.48 (m, 2H, CHarom); 7.62-7.65 (m, 2H, CHarom); 8.11 (bs, 1H, NH). 13C NMR (CDCl3, 75 MHz, 25 C): delta = 13.1; 23.7; 33.0; 55.7; 63.5; 101.3; 109.1; 111.4; 114.9; 115.3; 115.4; 116.5; 118.0; 129.0; 130.9; 131.0; 131.0; 134.1; 135.2; 139.0; 156.0; 168.2; 172.4. HRMS: calcd. for [C25H23ClN2O4 + Na]+ 473.1239; found 473.1245. IR (CHCl3): nu?=3481,nu?=3481,1730, 1674 cm-1. M.p.: 90-92 C.
  • 39
  • [ 87630-41-9 ]
  • [ 86688-96-2 ]
  • 40
  • [ 71616-57-4 ]
  • [ 86688-96-2 ]
  • 41
  • [ 86688-96-2 ]
  • [ 1368461-24-8 ]
  • 42
  • [ 86688-96-2 ]
  • 3-(1-(2-morpholinoethyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 43
  • [ 86688-96-2 ]
  • 3-(1-(3-morpholinopropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 44
  • [ 86688-96-2 ]
  • 3-(1-(3-(1H-imidazol-1-yl)propyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 45
  • [ 86688-96-2 ]
  • 3-(1-(3-(piperidin-1-yl)propyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 46
  • [ 86688-96-2 ]
  • 3-(5-methoxy-1-(3-morpholinopropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 47
  • [ 86688-96-2 ]
  • 3-(6-chloro-1-(3-morpholinopropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 48
  • [ 86688-96-2 ]
  • 3-(6-bromo-1-(3-morpholinopropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 49
  • [ 86688-96-2 ]
  • 3-(6-fluoro-1-(3-morpholinopropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 50
  • [ 86688-96-2 ]
  • 3-(1-(3-hydroxypropyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 51
  • [ 86688-96-2 ]
  • [ 125314-63-8 ]
  • 52
  • [ 86688-96-2 ]
  • 3-(1-(4-morpholinobutyl)-1H-indol-3-yl)-4-(1H-pyrrol-3-yl)-1H-pyrrole-2,5-dione [ No CAS ]
  • 53
  • [ 1594130-84-3 ]
  • [ 86688-96-2 ]
  • [ 1594128-72-9 ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20.0℃; The following compounds are prepared analogously to example 2.1 . For the examples CIP is used as coupling reagent the solvent is ACN. For the examples in which 1 -chloro-N,N-2-trimethylpropenylamine is used, the reagent is added to the a mixture of the appropiate acid in DCM and the mixture is stirred at r.t. for 30 min. Then the appropriate amine and DIPEA are added and the resulting mixture is stirred at r.t. for 1 h. After aq. work up the crude product is purified by HPLC. For example 2.55 N-methylmorpholine is used as base. For examples 2.57 and 2.63 the protection group is finally removed by using aq. HCI.Example 2 Example 2.1 (general route) 2-Acetamido-N-((S)-1 -(4-((f?)-1 -(4-(cvclopropylmethoxy)phenyl)pyrrolidin-3- yloxy)phenyl)ethyl)-4-methylthiazole-5-carboxamide 56.8 mg (0.28 mmol) 2-acetylamino-4-methyl-thiazole-5-carboxylic acid, 150 muIota (0.85 mmol) DIPEA and 91 .1 mg (0.28 mmol) TBTU are added to 2 ml DMF and stirred for 10 min. Then 100 mg (0.28 mmol) of the amine XXII.3 are added and the resulting mixture is stirred at r.t. over night. Afterwards the mixture is directly purified by HPLC (MeOH/H2O/NH3). C29H3 N4O4S (M= 534.7 g/mol) ESI-MS: 535 [M+H]+ Rt (HPLC): 1 .20 min (method C)
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