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[ CAS No. 34662-30-1 ]

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2D
Chemical Structure| 34662-30-1
Chemical Structure| 34662-30-1
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Product Details of [ 34662-30-1 ]

CAS No. :34662-30-1MDL No. :MFCD00463805
Formula : C7H3ClN2O2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :182.56Pubchem ID :602717
Synonyms :

Computed Properties of [ 34662-30-1 ]

TPSA : 69.6 H-Bond Acceptor Count : 3
XLogP3 : - H-Bond Donor Count : 0
SP3 : 0.00 Rotatable Bond Count : 0

Safety of [ 34662-30-1 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 34662-30-1 ]

  • Upstream synthesis route of [ 34662-30-1 ]
  • Downstream synthetic route of [ 34662-30-1 ]

[ 34662-30-1 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 20352-84-5 ]
  • [ 34662-30-1 ]
Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 6, p. 1518 - 1521
[2] Patent: US2008/188450, 2008, A1, . Location in patent: Page/Page column 14
  • 2
  • [ 34662-30-1 ]
  • [ 34662-36-7 ]
Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 6, p. 1518 - 1521
[2] Patent: US2008/188450, 2008, A1, . Location in patent: Page/Page column 14
  • 3
  • [ 34662-30-1 ]
  • [ 53312-78-0 ]
YieldReaction ConditionsOperation in experiment
40% With tin(ll) chloride In N,N-dimethyl-formamide at 20℃; 3-Chloro-5-nitrobenzonitrile was reduced to 3-amino-5-chlorobenzonitrile by treating with 6 equivalents of SnCl2 dihydrate in DMF at RT overnight. The product was purified by chromatography over silica gel (40percent yield). LCMS (Cond. A) RT 1.61 min., MH+ 153. 1H NMR (500 MHz, CDCl3) δ 6.97 (s, 1H), 6.84 (t, J=2.0 Hz, 1H), 6.77 (s, 1H).
Reference: [1] Patent: US2006/287287, 2006, A1, . Location in patent: Page/Page column 17-18
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