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[ CAS No. 159974-63-7 ]

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2D
Chemical Structure| 159974-63-7
Chemical Structure| 159974-63-7
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Product Details of [ 159974-63-7 ]

CAS No. :159974-63-7MDL No. :MFCD06656931
Formula : C12H16N2O2 Boiling Point : 368.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :220.27Pubchem ID :10932975
Synonyms :

Computed Properties of [ 159974-63-7 ]

TPSA : 41.6 H-Bond Acceptor Count : 4
XLogP3 : 1.2 H-Bond Donor Count : 1
SP3 : 0.42 Rotatable Bond Count : 3

Safety of [ 159974-63-7 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 159974-63-7 ]

  • Upstream synthesis route of [ 159974-63-7 ]
  • Downstream synthetic route of [ 159974-63-7 ]

[ 159974-63-7 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 67-56-1 ]
  • [ 446831-27-2 ]
  • [ 159974-63-7 ]
YieldReaction ConditionsOperation in experiment
63%
Stage #1: for 18 h; Reflux
Example 2: Synthesis of 2-{4-[2-(3,5-Dimethyl-pyrazol-l-yl)-acetyl]-piperazin-l-yl}- N-pyridin-4-yl-benzamidee 1 h 16h 2-Piperazin-l-yl-benzoic acid (1.000 g, 4.89 mmol) is suspended in 10 niL of MeOH. To this is added 5 niL of cone. H2SO4. The mixture is stirred for 16 h resulting in a white precipitate. An additional 5 rnL of H2SO4 is added with an additional 10 rnL of MeOH. The reaction volume is increased by an additional 200 mL of MeOH and 60 mL of H2SO4 and the mixture is stirred an additional 2 h and then heated at reflux for 12 h. The reaction volume is then reduced to approximately 175 mL and applied to an ion exchange column, eluting with 5x200 mL of 10percent NH3/Me0H and then the product fractions are concentrated. The eluent is co-evaporated with toluene to remove residual water to give 0.667 g of 2-piperazin-l-yl -benzoic acid methyl ester in 63percent yield.
Reference: [1] Patent: WO2010/126851, 2010, A1, . Location in patent: Page/Page column 86
[2] Patent: WO2010/126811, 2010, A1, . Location in patent: Page/Page column 142-143
  • 2
  • [ 110-85-0 ]
  • [ 610-94-6 ]
  • [ 159974-63-7 ]
YieldReaction ConditionsOperation in experiment
26% With potassium carbonate In 1,2-dioxacyclohexane; sodium hydroxide a.
1-(2-carbomethoxyphenyl)-piperazine
To a solution of methyl 2-bromobenzoate (1.63 g, 17.8 mmol) in 1,6-dioxane (100 ml) at room temperature was added piperazine (15.3 g, 178 mmol) and K2CO3 (4.92 g, 35 mmol).
The resulting mixture was heated to reflux for 7 days after which the reaction mixture was cooled to room temperature.
The solvent and the excess piperazine were removed in vacuo along with heating with a hot water bath.
The residue was dissolved in 1N NaOH solution, extracted with CH2Cl2 (6*30 ml), and dried over Na2SO4.
The solvent was removed in vacuo to obtain 1-(2-carbomethoxyphenyl)-piperazine as a yellow oil (1.0 g, 26percent).
Reference: [1] Patent: US6218390, 2001, B1,
  • 3
  • [ 110-85-0 ]
  • [ 610-94-6 ]
  • [ 584-08-7 ]
  • [ 159974-63-7 ]
Reference: [1] Patent: US6159990, 2000, A,
  • 4
  • [ 159974-40-0 ]
  • [ 159974-63-7 ]
Reference: [1] Tetrahedron Letters, 1994, vol. 35, # 40, p. 7331 - 7334
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