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Chemical Structure| 445-68-1 Chemical Structure| 445-68-1

Structure of 445-68-1

Chemical Structure| 445-68-1

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Product Details of [ 445-68-1 ]

CAS No. :445-68-1
Formula : C7H6FNO3
M.W : 171.13
SMILES Code : O=[N+](C1=C(F)C(OC)=CC=C1)[O-]
MDL No. :MFCD13185616
InChI Key :WDQHQUDZNPCCAF-UHFFFAOYSA-N
Pubchem ID :21416461

Safety of [ 445-68-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H412
Precautionary Statements:P264-P270-P273-P310-P330-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of [ 445-68-1 ]

* 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 [ 445-68-1 ]

[ 445-68-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 445-68-1 ]
  • [ 475106-18-4 ]
  • tert-butyl 3-(((2-methoxy-6-nitrophenyl)amino)methyl)morpholine-4-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
770 mg With potassium carbonate; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 90℃; for 1.0h;Microwave irradiation; To 2-fluoro-1 -methoxy-3-nitrobenzene (400 mg, 2.337 mmol) in DMSO (3 mL) were added <strong>[475106-18-4]tert-butyl 3-(aminomethyl)morpholine-4-carboxylate</strong> (506 mg, 2.337 mmol), K2CO3 (323 mg, 2.337 mmol), and diisopropylethyl amine (0.408 mL, 2.337 mmol), and the reaction mixture was heated in a microwave reactor for 1 hour at 90 C. The reaction was diluted with water (10 mL) extracted with EtOAc (4 x 5 mL). The organic extracts were combined, washed with brine, dried over MgS04, filtered, and concentrated. Purification by chromatography on S1O2 with a gradient of 0 to 40% EtOAc in hexanes afforded tert-butyl 3-(((2-methoxy-6- nitrophenyl)amino)methyl)morpholine-4-carboxylate (770 mg) as a red oil that solidified upon sitting. LC-MS (ES) m/z = 368 [M+H]+. NMR (400 MHz, DMSO-c/6): δ 1 .20 (br. s., 9H), 3.14 (m, 1 H), 3.25 - 3.33 (m, 1 H), 3.44 (m, 1 H), 3.60 - 3.80 (m, 4H), 3.84 (s, 3H), 3.86 - 3.93 (m, 1 H), 4.05 (d, J = 9.9 Hz, 1 H), 6.68 - 6.75 (m, 1 H), 7.17 (d, J = 7.6 Hz, 1 H), 7.60 (d, J = 8.4 Hz, 1 H), 7.62 - 7.75 (m, 1 H).
 

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