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[ CAS No. 1851-22-5 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 1851-22-5
Chemical Structure| 1851-22-5
Structure of 1851-22-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 1851-22-5 ]

CAS No. :1851-22-5MDL No. :MFCD00128857
Formula : C5H4ClNO Boiling Point : 310°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :129.54Pubchem ID :-
Synonyms :

Computed Properties of [ 1851-22-5 ]

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

Safety of [ 1851-22-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362UN#:N/A
Hazard Statements:H315-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1851-22-5 ]

  • Upstream synthesis route of [ 1851-22-5 ]
  • Downstream synthetic route of [ 1851-22-5 ]

[ 1851-22-5 ] Synthesis Path-Upstream   1~8

  • 1
  • [ 1851-22-5 ]
  • [ 107-06-2 ]
  • [ 16110-09-1 ]
Reference: [1] Patent: US5502194, 1996, A,
  • 2
  • [ 1851-22-5 ]
  • [ 16110-09-1 ]
  • [ 2402-77-9 ]
  • [ 55934-00-4 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1988, vol. 36, p. 2244 - 2247
  • 3
  • [ 1851-22-5 ]
  • [ 7677-24-9 ]
  • [ 89809-64-3 ]
  • [ 38180-46-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 2, p. 565 - 571
[2] Heterocycles, 1984, vol. 22, # 1, p. 93 - 96
  • 4
  • [ 1851-22-5 ]
  • [ 636-73-7 ]
Reference: [1] Patent: US5082944, 1992, A,
[2] Patent: US5082944, 1992, A,
  • 5
  • [ 1851-22-5 ]
  • [ 7677-24-9 ]
  • [ 38180-46-0 ]
YieldReaction ConditionsOperation in experiment
98% With triethylamine In acetonitrile for 20 h; Heating / reflux S-Chloro-pyridine^-carbonitrile (145-C).; To a solution of compound 145-B, (22.37 g, 172.7 mmol) in acetonitrile (175 mL) was added triethylamine (48 mL, 346 mmol) and TMS-CN (56 mL, 420 mmol). The solution was heated at reflux for 20 h then evaporated in vacuo. The residue was partitioned between EtOAc (250 mL), 10percent aqueous Na2CO3 (50 mL), and filtered over celite. The organic portion of the filtrate was washed with 10percent aqueous Na2CO3 (2X50 mL), brine (50 mL), and the organics dried over Na2SO4, filtered, and evaporated in vacuo to afford a dark crystalline residue, which was dissolved in warm diethyl ether (200 mL), filtered, and evaporated in vacuo to afford compound 145-C as a tan-orange powder (23.41 g, 98percent). 1H-NMR (DMSO-rfβ): δ 7.78-7.84 (m, IH), 8.30 (d, IH), 8.73 (d, IH); MS: m/z 139.1 (MH+).
98% With triethylamine In acetonitrile for 20 h; Reflux 3-chloro-pyridine-2-carbonitrile (145-C).
To a solution of compound 145-B, (22.37 g, 172.7 mmol) in acetonitrile (175 mL) was added triethylamine (48 mL, 346 mmol) and TMS-CN (56 mL, 420 mmol).
The solution was heated at reflux for 20 h then evaporated in vacuo.
The residue was partitioned between EtOAc (250 mL), 10percent aqueous Na2CO3 (50 mL), and filtered over celite.
The organic portion of the filtrate was washed with 10percent aqueous Na2CO3 (2*50 mL), brine (50 mL), and the organics dried over Na2SO4, filtered, and evaporated in vacuo to afford a dark crystalline residue, which was dissolved in warm diethyl ether (200 mL), filtered, and evaporated in vacuo to afford compound 145-C as a tan-orange powder (23.41 g, 98percent).
1H-NMR (DMSO-d6): δ 7.78-7.84 (m, 1H), 8.30 (d, 1H), 8.73 (d, 1H); MS: m/z 139.1 (MH+).
Reference: [1] Patent: WO2009/12430, 2009, A1, . Location in patent: Page/Page column 215-216
[2] Patent: US2012/190674, 2012, A1, . Location in patent: Page/Page column 89
[3] Patent: US2004/77605, 2004, A1,
[4] Patent: WO2006/91858, 2006, A1, . Location in patent: Page/Page column 155
  • 6
  • [ 1851-22-5 ]
  • [ 7677-24-9 ]
  • [ 89809-64-3 ]
  • [ 38180-46-0 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 2, p. 565 - 571
[2] Heterocycles, 1984, vol. 22, # 1, p. 93 - 96
  • 7
  • [ 1851-22-5 ]
  • [ 76439-45-7 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 5, p. 989 - 992
[2] Patent: US6232320, 2001, B1,
[3] Patent: WO2007/20877, 2007, A1, . Location in patent: Page/Page column 33
[4] Patent: US2004/14780, 2004, A1, . Location in patent: Page 18
  • 8
  • [ 626-60-8 ]
  • [ 1851-22-5 ]
  • [ 76439-45-7 ]
Reference: [1] Patent: US2003/69257, 2003, A1,
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