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[ CAS No. 5004-07-9 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 5004-07-9
Chemical Structure| 5004-07-9
Chemical Structure| 5004-07-9
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Product Details of [ 5004-07-9 ]

CAS No. :5004-07-9 MDL No. :MFCD00038011
Formula : C9H18N2 Boiling Point : -
Linear Structure Formula :- InChI Key :STWODXDTKGTVCJ-UHFFFAOYSA-N
M.W :154.25 Pubchem ID :78703
Synonyms :

Safety of [ 5004-07-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5004-07-9 ]

* 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.

  • Upstream synthesis route of [ 5004-07-9 ]
  • Downstream synthetic route of [ 5004-07-9 ]

[ 5004-07-9 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 902837-26-7 ]
  • [ 5004-07-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 9, p. 3157 - 3162
[2] Patent: CN105622638, 2016, A, . Location in patent: Paragraph 0210
[3] Patent: EP3124482, 2017, A1, . Location in patent: Paragraph 0699; 0701
  • 2
  • [ 4876-57-7 ]
  • [ 5004-07-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 4, p. 491 - 494
  • 3
  • [ 3612-20-2 ]
  • [ 5004-07-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 4, p. 491 - 494
  • 4
  • [ 79099-07-3 ]
  • [ 5004-07-9 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 9, p. 3157 - 3162
[2] Patent: CN105622638, 2016, A,
[3] Patent: EP3124482, 2017, A1,
  • 5
  • [ 40064-34-4 ]
  • [ 5004-07-9 ]
Reference: [1] Patent: CN105622638, 2016, A,
  • 6
  • [ 20826-04-4 ]
  • [ 5004-07-9 ]
  • [ 1314241-44-5 ]
Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 7, p. 2504 - 2511
  • 7
  • [ 566155-75-7 ]
  • [ 5004-07-9 ]
  • [ 1415800-43-9 ]
YieldReaction ConditionsOperation in experiment
88.7%
Stage #1: With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide for 1 h; Inert atmosphere; Cooling
Stage #2: Inert atmosphere
Take 9.0g compound, dissolved in 90ml DMF was added 11.3g HOBt, 16.0g EDCI · HCl, 14.2g Et3N, Under nitrogen, ice bath reaction 1h.Then 10.8g 4- (1- pyrrolidine) piperidine was dissolved in 50ml DMF, was added dropwise the reaction mixture was stirred overnight, the next day the reaction was complete by TLC; the reaction was quenched with water added 200ml, 200ml add the EA and the combined organic additive water 200ml, with 3M HCl pH adjusted to about 3, separated, the organic phase discarded, the aqueous phase was adjusted to pH 9-10 and the product extracted with EA, the organic phase was washed with saturated aqueous sodium chloride and were washed three times, dried over anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent to give the crude product 18g.The residue was treated with EtOH / EA / PE obtain 16.4g white crystalline solid product, i.e., (2-(phenylamino)-1,4-phenylene)bis((4-(pyrrolidin-1-yl)piperidin-1-yl)methanone), i.e. the compound UNC1215, shown in Figure 5, yield 88.7percent.
Reference: [1] Patent: CN104072403, 2016, B, . Location in patent: Paragraph 0037
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