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[ CAS No. 27655-41-0 ]

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Chemical Structure| 27655-41-0
Chemical Structure| 27655-41-0
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CAS No. :27655-41-0 MDL No. :MFCD03109890
Formula : C10H6N2 Boiling Point : 341.5°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :154.17 g/mol Pubchem ID :-
Synonyms :

Safety of [ 27655-41-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 27655-41-0 ]

  • Upstream synthesis route of [ 27655-41-0 ]
  • Downstream synthetic route of [ 27655-41-0 ]

[ 27655-41-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 27655-41-0 ]
  • [ 27810-64-6 ]
YieldReaction ConditionsOperation in experiment
84% With hydrogenchloride; water In water at 100℃; for 6 h; Isoquinoline-5-carbonitrile (6 g, 38.62 mmol) obtained in Step (1) above and distilled water (90 mL) were mixed and stirred.
The reaction solution was added with concentrated HCl solution (15 mL) and stirred for about 6 hours at 100°C.
The reaction mixture was cooled to room temperature and adjusted to have a pH value in a range of 5∼6 by adding DIPEA (about 40 mL).
The resulting solid mixture was stirred for about 3 hours at room temperature and filtered.
The residue was dried in an oven at 50°C to obtain the title compound (5.6 g, 84 percent).
MS (ESI+, m/z): 174 [M+H]+
84% at 100℃; for 6 h; Isoquinoline-5-carbonitrile (6 g, 38.62 mmol) obtained in Step (1) above and distilled water (90 mL) were mixed and stirred.
The reaction solution was added with concentrated HCl solution (15 mL) and stirred for about 6 hours at 100° C.
The reaction mixture was cooled to room temperature and adjusted to have a pH value in a range of 5˜6 by adding DIPEA (about 40 mL).
The resulting solid mixture was stirred for about 3 hours at room temperature and filtered.
The residue was dried in an oven at 50° C. to obtain the title compound (5.6 g, 84percent).
MS (ESI+, m/z): 174 [M+H]+
Reference: [1] Patent: EP2876107, 2015, A1, . Location in patent: Paragraph 0066
[2] Patent: US2015/191450, 2015, A1, . Location in patent: Paragraph 0127; 0128
[3] Journal of the American Chemical Society, 1939, vol. 61, p. 183
Historical Records

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