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Chemical Structure| 121781-57-5 Chemical Structure| 121781-57-5

Structure of 121781-57-5

Chemical Structure| 121781-57-5

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Product Details of [ 121781-57-5 ]

CAS No. :121781-57-5
Formula : C7H9Cl3O2
M.W : 231.50
SMILES Code : O=C(/C(C)=C/OCC)C(Cl)(Cl)Cl
MDL No. :MFCD22989162

Safety of [ 121781-57-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H315-H319-H332-H335-H227
Precautionary Statements:P210-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501

Application In Synthesis of [ 121781-57-5 ]

* 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 [ 121781-57-5 ]

[ 121781-57-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6971-45-5 ]
  • [ 121781-57-5 ]
  • [ 1186539-13-8 ]
  • [ 1364523-63-6 ]
YieldReaction ConditionsOperation in experiment
12.81%; 9.37% In ethanol; for 3h;Reflux; Step G2. A mixture of (E)- 1,1,1 -trichloro-4-ethoxy-3-methylbut-3-en-2-one (279 mg, 1.205 mmol) and (2-methoxyphenyl)hydrazine, HCl (253 mg, 1.446 mmol) in EtOH (5 mL) was heated to reflux for 3hrs. Cooled to r.t. then seperated by Pre-HPLC to afford ethyl l-(2-methoxyphenyl)-4-methyl-lH-pyrazole-5-carboxylate (Fraction A, 30mg, 0.113 mmol, 9.37 % yield) and ethyl l-(2-methoxyphenyl)-4-methyl-lH-pyrazole-3- carboxylate (fraction B, 41mg, 0.154 mmol, 12.81 % yield). ¾-NMR of fraction A: (500MHz, CD30D): delta: 7.58(s, IH), 7.48-7.44(m, IH), 7.35(d, J=7Hz, IH), 7.14(d, J=7.2Hz), 7.10-7.07(m, IH), 4.16(q, J=7.1Hz, 2H), 3.76(s, 3H), 2.34(s, 3H), 1.1 l(t, J=7Hz, 3H).¾-NMR of isomer B: (500MHz, CD30D): delta: 7.91(s, IH), 7.61(d, J=8.2Hz, IH), 7.36(d, J=7Hz, IH), 7.23(d, J=8.2Hz, IH), 7.12-7-08 (m, IH), 4.41(q, J=7 Hz, 2H), 3.76(s, 3H), 2.35(s, 3H), 1.42(t, J=7Hz, 3H).
 

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