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Chemical Structure| 1427158-38-0 Chemical Structure| 1427158-38-0

Structure of 1427158-38-0

Chemical Structure| 1427158-38-0

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Product Details of [ 1427158-38-0 ]

CAS No. :1427158-38-0
Formula : C6H8O3
M.W : 128.13
SMILES Code : O=C([C@]12COC[C@@]1([H])C2)O
MDL No. :MFCD32741245
InChI Key :KXQPXWJVQITPAZ-INEUFUBQSA-N
Pubchem ID :71515801

Safety of [ 1427158-38-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H312-H332
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Application In Synthesis of [ 1427158-38-0 ]

* 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 [ 1427158-38-0 ]

[ 1427158-38-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 90942-47-5 ]
  • [ 1427158-38-0 ]
  • [ 1436505-18-8 ]
YieldReaction ConditionsOperation in experiment
200 mg With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 22 - 26℃; for 12.0h; A solution of (iS,5S)-3-oxabicyclo[3.1.0]hexane-l-carboxylic acid (200 mg, 1.72 mmol), <strong>[90942-47-5]methyl 5-(aminomethyl)-2-chlorobenzoate hydrochloride</strong> (Intermediate-5, step-3; 488 mg, 2.06 mmol) benzotriazole-l-yl-oxy-tris-(dimethylamino)-phosphonium hexafluorophosphate (1.91 g, 4.31 mmol), DIPEA (665 mg, 5.16 mmol) in DMF (10 mL) was stirred at rt for 12h. Then the reaction mixture was diluted with water and was extracted with EtOAc. The organic layer was washed with brine, separated, dried, filtered and concentrated. The residue was purified by column chromatography to afford 200 mg of the title product. 1H NMR (300 MHz, DMSO d6): delta 8.18 (br t, 1H, NH), 7.67 (s, 1H), 7.54-7.52 (d, / = 7.8 Hz, 1H), 7.44-7.42 (d, / = 8.1 Hz, 1H), 4.29-4.27 (d, / = 6.3 Hz, 1H), 3.86- 3.63 (m, 4H), 2.05 (m, 1H), 1.34- 1.31 (m, 1H), 0.85- 0.81 (m ,lH).
 

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