[ CAS No. 33422-35-4 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 33422-35-4
Chemical Structure| 33422-35-4
Structure of 33422-35-4

Quality Control of [ 33422-35-4 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 33422-35-4 ]

SDS

Product Details of [ 33422-35-4 ]

CAS No. :33422-35-4MDL No. :MFCD00052897
Formula :C8H14N2O3Boiling Point :360.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :186.21Pubchem ID :544550
Synonyms :

Computed Properties of [ 33422-35-4 ]

TPSA : 67.4 H-Bond Acceptor Count : 4
XLogP3 : -0.9 H-Bond Donor Count : 2
SP3 : 0.75 Rotatable Bond Count : 4

Safety of [ 33422-35-4 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 33422-35-4 ]

  • Upstream synthesis route of [ 33422-35-4 ]

[ 33422-35-4 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 107-15-3 ]
  • [ 141-05-9 ]
  • [ 33422-35-4 ]
YieldReaction ConditionsOperation in experiment
100% at 55℃; for 16.00 h; Synthesis of 2-(1-(2,4-dichlorophenylsulfonyl)-3-oxopiperazin-2-yl)acetic acid S11; Ethyl 2-(3-oxopiperazin-2-yl)acetate; Ethylenediamine (1.17 ml, 17.42 mmol) and diethyl maleate (3 g, 17.42 mmol) were stirred for 16 h at 55° C. in propanol (30 ml). The solvent was removed in vacuo and the residue was dried in vacuo. The product was used in the next stage without being purified further.Yield: 3.4 g (100percent)
Reference: [1] Patent: US2008/312231, 2008, A1. Location in patent: Page/Page column 40
[2] Journal of Heterocyclic Chemistry, 1993, vol. 30, # 1, p. 275 - 276
[3] Journal of Pharmaceutical Sciences, 1990, vol. 79, # 5, p. 447 - 452
  • 2
  • [ 107-15-3 ]
  • [ 623-91-6 ]
  • [ 33422-35-4 ]
YieldReaction ConditionsOperation in experiment
79.6% at 25℃; for 12.00 h; To a solution of diethyl (E)-but-2- enedioate (30.2 g, 175 mmol, 28.8 mL) in i-PrOH (300 mL) was added ethane-1,2-diamine (11.0 g, 183 mmol, 12.2 mL). After stiring at 25 °C for 12 hours, the reaction mixture was concentrated under reduced pressure to dryness. The crude white solid was washed with MTBE (500 mL) and dried under vacuum to give ethyl 2-(3-oxopiperazin-2-yl)acetate (26.0 g, 140 mmol, 79.6 percent yield, 100 percent purity) as a white solid.’H NMR (400 MFIz, Chloroform-d) = 6.55 (br s, 1H), 4.15 (q,J= 6.8 Hz, 2H), 3.80-3.72 (m, 1H), 3.47 (dt,J=4.8, 11.2 Hz, 1H), 3.36- 3.22 (m, 1H), 3.18 - 3.08 (m, 1H), 3.07 - 2.95 (m, 2H), 2.76 - 2.70 (m, 1H), 1.25 (t, J= 7.2 Hz, 3H).
Reference: [1] Patent: WO2017/201161, 2017, A1. Location in patent: Paragraph 0699
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