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Chemical Structure| 16532-78-8 Chemical Structure| 16532-78-8

Structure of 16532-78-8

Chemical Structure| 16532-78-8

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Product Details of [ 16532-78-8 ]

CAS No. :16532-78-8
Formula : C9H6N2
M.W : 142.16
SMILES Code : N#CCC1=CC=CC(=C1)C#N
MDL No. :MFCD00060301
InChI Key :OQKZSMMMKYJQJP-UHFFFAOYSA-N
Pubchem ID :519280

Safety of [ 16532-78-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 16532-78-8 ]

* 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 [ 16532-78-8 ]

[ 16532-78-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 16532-78-8 ]
  • [ 2084-13-1 ]
YieldReaction ConditionsOperation in experiment
97% at 80℃; for 2 h; (iii) 3-Carboxymethyl-benzoic acid; 3-Cyanomethyl-benzonitrile (90 mg, 0.63 mmol) was suspended in conc. HC1 (3 ml), and heated to 80°C for 2 h. The solvent was then removed in vacuo to give the crude product, which was used without further purification. Yield: 110 mg, 97percent ; LC/MS tr 0.71 min; MS (ES+) m/z 181 (M+H)
References: [1] Patent: WO2005/80367, 2005, A1, . Location in patent: Page/Page column 164.
[2] Justus Liebigs Annalen der Chemie, 1936, vol. 521, p. 242,260.
[3] Chemische Berichte, 1903, vol. 36, p. 3611.
 

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