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[ CAS No. 74417-44-0 ]

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2D
Chemical Structure| 74417-44-0
Chemical Structure| 74417-44-0
Structure of 74417-44-0 *Storage: {[proInfo.prStorage]}

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Product Details of [ 74417-44-0 ]

CAS No. :74417-44-0MDL No. :MFCD06657041
Formula : C10H8BrN Boiling Point : 322.1°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :222.08Pubchem ID :2776246
Synonyms :

Computed Properties of [ 74417-44-0 ]

TPSA : 12.9 H-Bond Acceptor Count : 1
XLogP3 : 2.7 H-Bond Donor Count : 0
SP3 : 0.10 Rotatable Bond Count : 1

Safety of [ 74417-44-0 ]

Signal Word:DangerClass:8
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501UN#:3261
Hazard Statements:H302-H314Packing Group:
GHS Pictogram:

Application In Synthesis of [ 74417-44-0 ]

  • Upstream synthesis route of [ 74417-44-0 ]
  • Downstream synthetic route of [ 74417-44-0 ]

[ 74417-44-0 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 1721-93-3 ]
  • [ 74417-44-0 ]
YieldReaction ConditionsOperation in experiment
18% With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) In tetrachloromethane for 2 h; Heating / reflux Preparation 17-1); 1-Bromomethyl-isoquinolineTo 1-methylisoquinoline (0.99 g, 6.91 mmol), NBS (1.35 g, 1.1 eq) and AIBN(IO mg, catalytic amount) was added CCl4 (IS mL), which was then refluxed for 2 h. The suspended particles were removed by filtration, and washed with CCl4. The organic <n="59"/>layers were combined, concentrated under reduced pressure, and separated by column chromatography (30percent, ethyl acetate/hexane) to give the title compound (270 mg, Yield: 18percent) as a violet solid.1H-NMR (500MHz, CDCl3) δ 8.48(d, IH), 8.25(d, IH), 7.87(d, IH),7.75-7.67(two t, 2H), 7.65(d, IH)
Reference: [1] Patent: WO2008/16239, 2008, A1, . Location in patent: Page/Page column 57-58
  • 2
  • [ 27311-63-3 ]
  • [ 74417-44-0 ]
Reference: [1] Journal of the Chemical Society, 1951, p. 1145,1147
  • 3
  • [ 4494-18-2 ]
  • [ 74417-44-0 ]
Reference: [1] Journal of the Chemical Society, 1951, p. 1145,1147
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