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[ CAS No. 94111-75-8 ]

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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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3d Animation Molecule Structure of 94111-75-8
Chemical Structure| 94111-75-8
Chemical Structure| 94111-75-8
Structure of 94111-75-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 94111-75-8 ]

CAS No. :94111-75-8 MDL No. :MFCD22492793
Formula : C9H8Br2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RZTUPNXWTOBHSY-UHFFFAOYSA-N
M.W :307.97 Pubchem ID :296111
Synonyms :

Safety of [ 94111-75-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331-H341 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 94111-75-8 ]

* 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.

  • Downstream synthetic route of [ 94111-75-8 ]

[ 94111-75-8 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 6921-28-4 ]
  • [ 94111-75-8 ]
  • C15H13Br2NO [ No CAS ]
YieldReaction ConditionsOperation in experiment
48% Stage #1: 3,5-bis(bromomethyl)benzoic acid With thionyl chloride Reflux; Stage #2: dipropargylamine With dmap In dichloromethane at 0 - 20℃; 2.2 Scaffold T4(-E)2-3 Compound 6 (3.92 g, 12.7 mmol, 1 equiv) was dissolved in SOCl2 (15 mL) and reuxed overnight at room temperature. After evaporation of the volatiles, the acyl chloride was dissolved in dry % CH2Cl2 (130 mL). DMAP (37 mg, 0.30 mmol, 0.02 equiv) was added to the mixture, followed by dropwise addition of (0293) dipropargylamine (1.42 mL, 1.23 mmol, 1.05 equiv) in CH2Cl2 (13 mL) at 0 °C. The temperature was increased to room temperature, and after completion of the reaction H20 (100 mL) and CH2Cl2 (50 mL) were added. The layers were separated and the organic layer was washed with H20 (2 >< 200 mL) and brine (1 >< 250 mL). The organic layer was dried over MgSO4, filtered and concentrated in racuo. (0294) Column purification of the crude product yielded the desired scaffold T4(-E)2-3 as a white powder in a yield of 48%. 1H NMR (400 MHZ, CDCl3, measured at-50 °C) 8 7.55 - 7.51 (m, 3H), 4.47 (s, 4H), 4.46 (d, 2H, part of AB), 4.15 (d, 2H, part ofAB), 2.44 (t, 1H, part of AB), 2.31 (t, 1H, part of AB). 13C NMR (400 MHZ, CDCl3, measured at-50 °C) 8 169.6, 139.0, 135.4, 131.8, 127.9, 74.0, 72.8, 38.5 (rotamer signal A), 33.9 (rotamer signal B), 322 IR V 3277, 1644, 1599, 1452, 1219 cm-1. HRMS (EI+) m/z caIcuIated for C15H13Br2NO 380.9364, found 380.9345.
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