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[ CAS No. 14003-34-0 ]

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2D
Chemical Structure| 14003-34-0
Chemical Structure| 14003-34-0
Structure of 14003-34-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 14003-34-0 ]

CAS No. :14003-34-0MDL No. :MFCD00006724
Formula : C9H8N2O Boiling Point : 345.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :160.17Pubchem ID :-
Synonyms :

Computed Properties of [ 14003-34-0 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 14003-34-0 ]

Signal Word:WarningClass:
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304UN#:
Hazard Statements:H302-H315-H319-H332-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 14003-34-0 ]

  • Upstream synthesis route of [ 14003-34-0 ]
  • Downstream synthetic route of [ 14003-34-0 ]

[ 14003-34-0 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 14003-34-0 ]
  • [ 32601-86-8 ]
YieldReaction ConditionsOperation in experiment
90% at 120℃; for 5 h; General procedure: Compound 1a (28.1mmol, 5.0g) was dissolved in POCl3 (25mL) at 0°C, the resulting solution was allowed to reflux at 120°C for 5h. After completion of reaction, the reaction was quenched with cooled ammonia, which was further extracted with ethyl acetate (EtOAc, 2×15mL). The organic phase was separated and washed with brine, dried over anhydrous MgSO4, filtered, and concentrated in vacuum to afford the crude product, which was purified by silica gel flas chromatography (PE: EA=10:1, v:v) to afford 5.0g of 2a as an off-white solid, yield 90percent. M.p.: 86.0–87.0°C; ESI-MS m/z: 179.4 [M+H]+.
Reference: [1] European Journal of Medicinal Chemistry, 2016, vol. 124, p. 311 - 325
[2] European Journal of Medicinal Chemistry, 2009, vol. 44, # 3, p. 1135 - 1143
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001, vol. 40, # 7, p. 565 - 573
[4] E-Journal of Chemistry, 2011, vol. 8, # 2, p. 635 - 642
[5] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 5, p. 1139 - 1143
[6] Journal of the American Chemical Society, 1952, vol. 74, p. 3433
[7] Journal of the Chemical Society, 1948, p. 519,521
[8] Journal of the Chemical Society, 1948, p. 2129,2132
[9] Heterocycles, 1985, vol. 23, # 8, p. 2025 - 2034
[10] Journal of Medicinal Chemistry, 2008, vol. 51, # 8, p. 2457 - 2467
[11] Patent: WO2013/34755, 2013, A1, . Location in patent: Page/Page column 17
[12] European Journal of Medicinal Chemistry, 2013, vol. 65, p. 205 - 222
[13] Beilstein Journal of Organic Chemistry, 2017, vol. 13, p. 174 - 181
[14] Patent: CN104529915, 2018, B, . Location in patent: Paragraph 0129; 0132; 0133
  • 2
  • [ 14003-34-0 ]
  • [ 32601-86-8 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1995, vol. 32, # 4, p. 1317 - 1324
[2] Pharmazie, 2000, vol. 55, # 11, p. 858 - 859
[3] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2007, vol. 46, # 10, p. 1699 - 1702
[4] Bulletin of the Korean Chemical Society, 2011, vol. 32, # 8, p. 2657 - 2660
[5] Synthetic Communications, 2013, vol. 43, # 13, p. 1842 - 1848
[6] Revue Roumaine de Chimie, 2017, vol. 62, # 12, p. 903 - 906
  • 3
  • [ 617-35-6 ]
  • [ 14003-34-0 ]
  • [ 32601-86-8 ]
Reference: [1] Journal of the Indian Chemical Society, 2005, vol. 82, # 11, p. 972 - 974
  • 4
  • [ 14003-34-0 ]
  • [ 62235-61-4 ]
Reference: [1] Journal of the Chemical Society, 1955, p. 303,307
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