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Chemical Structure| 1423-60-5 Chemical Structure| 1423-60-5

Structure of 1423-60-5

Chemical Structure| 1423-60-5

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Product Details of [ 1423-60-5 ]

CAS No. :1423-60-5
Formula : C4H4O
M.W : 68.07
SMILES Code : CC(C#C)=O
MDL No. :MFCD00008775
InChI Key :XRGPFNGLRSIPSA-UHFFFAOYSA-N
Pubchem ID :15018

Safety of [ 1423-60-5 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H300-H315-H319-H335
Precautionary Statements:P210-P233-P235-P240-P241-P242-P243-P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P303+P361+P353-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P370+P378-P403-P403+P233-P403+P235-P405-P501
Class:3(6.1)
UN#:1992
Packing Group:

Application In Synthesis of [ 1423-60-5 ]

* 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 [ 1423-60-5 ]

[ 1423-60-5 ] Synthesis Path-Downstream   1~3

  • 3
  • [ 57508-48-2 ]
  • [ 1423-60-5 ]
  • [ 70959-85-2 ]
YieldReaction ConditionsOperation in experiment
87% In ethanol; at 150℃; for 1.5h;Microwave irradiation; A solution of <strong>[57508-48-2]ethyl 3-amino-3-iminopropionate hydrochloride</strong> (6*HCl) (150 mg, 0.90 mmol) and 3-butyn-2-one (2a) (64 mg, 0.95 mmol) in EtOH(3.5 mL) was irradiated at 150 C for 1.5 h (hold-time) in a pressure-rated glass tube (10 mL) using a CEM Discover microwave synthesizer by moderating the initial power (200 W). After cooling in a flow of compressed air the solution was partitioned between aqueous NaHCO3 solutionand EtOAc (10 mL). The aqueous layer was further extracted with EtOAc (4 × 10 mL) and the organic extracts were combined and evaporated invacuo. Purification by immobilization on a Biotage ISOLUTE SCX-2 column, eluting with EtOH-NH4OH (aq; 35%) (5:1 v/v), gave the title compound (140 mg, 87%) as a brown powder, mp 88 C (Lit.,2 mp 88 C) (Found MH+, 181.0971. C9H13N2O2 [MH] requires 181.0972); numax(neat)/cm-1 3425, 3263, 2986, 1686, 1616, 1586, 1247, 1106, 841, 781, 721; deltaH (500 MHz; CDCl3)/ppm 8.01 (1H, d, J = 8.0 Hz, H-4), 6.90-6.40(2H, bs, NH2), 6.46 (1H, d, J = 8.0 Hz ), 4.31 (2H, q, J = 7.1 Hz ), 2.38 (3H, s, 6-Me), 1.36 (3H, t, J = 7.1 Hz, Me); deltaC (125 MHz, d6-DMSO/CDCl3)/ppm 171.7 (C), 168.0 (C), 164.2 (C), 145.1 (CH), 141.5 (CH), 116.6 (CH), 107.4 (C), 65.4 (CH2), 29.1 (Me), 19.3 (Me); m/z (EI)180 (M?+).
 

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