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[ CAS No. 852180-47-3 ] {[proInfo.proName]}

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Chemical Structure| 852180-47-3
Chemical Structure| 852180-47-3
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Product Details of [ 852180-47-3 ]

CAS No. :852180-47-3 MDL No. :MFCD03791213
Formula : C16H25N3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :TTXMFUXVXBAVIP-UHFFFAOYSA-N
M.W : 291.39 Pubchem ID :2763841
Synonyms :

Safety of [ 852180-47-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310 UN#:2811
Hazard Statements:H301 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 852180-47-3 ]

* 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 [ 852180-47-3 ]

[ 852180-47-3 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 852180-47-3 ]
  • [ 25084-14-4 ]
  • [ 831203-79-3 ]
  • 2
  • [ 186650-98-6 ]
  • [ 852180-47-3 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogen; In methanol; at 20℃; under 2327.23 Torr; for 4h; To a solution of G1 (1.00 g, 3.50 mmol) in MeOH (50 mL) was added Raney-Ni (0.50 g). The suspension was degassed under vacuum and purged with H2 for three times. The reaction mixture was stirred at 20 C for 4 hours under H2 atmosphere (45 psi). LCMS showed the reaction was completed. The reaction mixture was filtrated and the filtrate was concentrated under reduced pressure and purified by silica gel column (eluent: EtOAc/PE = 3/1 to EtOAc, 1% TEA as additive) to afford 1.00 g (yield: 100%) of compound G2 as a white powder.
99% With ammonia; hydrogen; In methanol; at 20℃; for 16h; Under hydrogen, N-Boc-4- (4-cyanophenyl) piperazine (1 g, 3.48 mmol), ammonia (1 mL) and Raney nickel (50 mg) were added to methanol (10 mL). The reaction system was at room temperature. Stir for 16 hours.Filtration and concentration of the filtrate to dryness gave 1-N-Boc-4- (4- (aminomethyl) phenyl) piperazine (9A, 1 g, yield: 99%) as a white solid.
With hydrogen; In methanol; To a stirred solution of 14f (1.55mmol) in methanol (10mL) was added a portion of Raney-Ni and the mixture was stirred for 4h under H2 atmosphere. The reaction mixture was filtered by cellite and the filtrate was concentrated. The crude residue was purified by flash column chromatography (methylene chloride:MeOH=20:1) to give 23.
  • 3
  • [ 852180-47-3 ]
  • [ 831203-80-6 ]
  • 4
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid methyl ester [ No CAS ]
  • 5
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid ethyl ester [ No CAS ]
  • 6
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid allyl ester [ No CAS ]
  • 7
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid isobutyl ester [ No CAS ]
  • 8
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid isopropylamide [ No CAS ]
  • 9
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid propylamide [ No CAS ]
  • 10
  • [ 852180-47-3 ]
  • 4-(4-[(5-nitro-furan-2-carbonyl)-amino]-methyl}-phenyl)-piperazine-1-carboxylic acid butyl ester [ No CAS ]
  • 13
  • [ 852180-47-3 ]
  • [ 1038388-17-8 ]
  • [ 1038388-18-9 ]
YieldReaction ConditionsOperation in experiment
Example 2CPart A:2- Thiphene-3-yl-imidazo[1 ,2-a]pyridine-3,8-dicarboxylic acid 163 (0.05 mmol) dissolved in in dichloromethane (5 ml_) and cooled to -200C. To this (1-(3- dimethylaminopropyl)-3-ethylcarbodiimide (1.2 equivalents, 0.06 mmol) was added. Followed by Diisopropyl ethyl amine (3 equivalents) was added and the solution stirred at - 200C for 15 minutes. To the activated acid was added with 0.05 mmol solution of Amine (pre dissolved in to DCM or NMP; 0.5 ml_). The solution was shaken <n="116"/>at -50C for 14 hrs. LCMS analysis showed the completion of the reaction. HPLC-LC- MS mass calculated for formula C3IH35N5O5S, 589.23; and observe m/z M++H 590.0
Example 2CPart A:2- Thiphene-3-yl-imidazo[1 ,2-a]pyridine-3,8-dicarboxylic acid 163 (0.05 mmol) dissolved in in dichloromethane (5 ml_) and cooled to -200C. To this (1-(3- dimethylaminopropyl)-3-ethylcarbodiimide (1.2 equivalents, 0.06 mmol) was added. Followed by Diisopropyl ethyl amine (3 equivalents) was added and the solution stirred at - 200C for 15 minutes. To the activated acid was added with 0.05 mmol solution of Amine (pre dissolved in to DCM or NMP; 0.5 ml_). The solution was shaken <n="116"/>at -50C for 14 hrs. LCMS analysis showed the completion of the reaction. HPLC-LC- MS mass calculated for formula C3IH35N5O5S, 589.23; and observe m/z M++H 590.0
  • 14
  • [ 852180-47-3 ]
  • [ 1149380-77-7 ]
  • [ 1149380-80-2 ]
YieldReaction ConditionsOperation in experiment
97% With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20℃; for 24h; STEP 5: A solution of tert-butyl 4-[4-(aminomethyl)phenyl]piperazine-l- carboxylate (223 mg, 0.77 mmol), 6-[3-endo-([2-methyl-3-methyloxy)phenyl]- carbonyl}amino)-8-azabicyclo[3.2.1]oct-8-yl]pvridine-3-carboxylic acid (324 mg, 0.77 mmol), HATU (291 mg, 0.77 mmol), and diisopropylethylamine (302 mg, 2.34 mmol) in dimethylformamide (5 mL) was stirred at room temperature for 24 hours. The reaction mixture was diluted with ethyl acetate (50 mL), washed with saturated sodium bicarbonate (25 mL), 5% aqueous lithium chloride (2 x 25 mL), and brine (25 mL), dried over sodium sulfate, and dried to provide 1 ,1-dimethylethyl 4-(4-[({6-[3- endo-([2-methyl-3-(methyloxy)phenyl]carbonyl}amino)-8-azabicyclo[3.2.1]oct-8- yl]pyridine-3-yl}carbonyl)amino]methyl}phenyl)piperazine-l-carboxylate (498 mg, 97% yield). 1H NMR (400 MHz, CDCl3): 8.58 (d, IH), 7.90 (dd, IH), 7.28 (m, IH), <n="201"/>7.21 (t, IH), 6.92 (m, 4H), 6.53 (d, IH), 6.19 (d, I H), 6.13 (t, I H), 4.61 (br s, 2H), 4.55 (d, 2H), 4.25 (m, IH), 3.85 (s, 3H), 3.57 (m, 4H), 3.12 (m, 4H), 2.34 (m, 2H), 2.29 (s, 3H), 2.21 (m, 2H), 2.00 (m, 2H), 1.82 (d, 2H), 1.48 (s, 9H); MS (EI) for C38H48N6O5: 669 (MH+).
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