Home Cart Sign in  
Chemical Structure| 61310-53-0 Chemical Structure| 61310-53-0

Structure of 61310-53-0

Chemical Structure| 61310-53-0

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 61310-53-0 ]

CAS No. :61310-53-0
Formula : C5H7NO
M.W : 97.12
SMILES Code : N#C/C=C/OCC
MDL No. :MFCD00010193
InChI Key :HUPVIAINOSTNBJ-HWKANZROSA-N
Pubchem ID :5324714

Safety of [ 61310-53-0 ]

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

Application In Synthesis of [ 61310-53-0 ]

* 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 [ 61310-53-0 ]

[ 61310-53-0 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 61310-53-0 ]
  • [ 59-88-1 ]
  • [ 1128-56-9 ]
YieldReaction ConditionsOperation in experiment
With sodium ethanolate; In ethanol; at 25 - 82℃; for 20.5h; To a suspension of the phenylhydrazine hydrochloride 3-1 (1.0 g, TCI) in ETOH (5 mL) was added 21 weight % NaOEt in ETOH (7.23 mL) while keeping the temperature less than 30C. The ethoxyacrylonitrile 1-2 (1.33mL, Acros) was then added at 25C. The reaction mixture was warmed to about 82C over 30 minutes and then aged for 20 hours. The reaction mixture was cooled to ambient temperature. Water (10 mL) was slowly added to the reaction mixture while keeping the temperature below 30C. The resulting aqueous ethanol solution was extraced with MTBE (20 mL) then the organic layer was washed with 10% NaCl aqueous solution (5 mL). Activated carbon (Shirasagi P, 5 mg) was added to the resulting solution at ambient temperature and stirred for about 1 hour. Concentration of the filtrate and purification of the resulting residue with flash chromatography (HEPTANE/ETOAC = 2 : 1) gave 1-(2-PHENYL)-LH-PYRAZOLE-3-AMINE 3-2. 1HNMR (500 MHZ, DMSO-D6) : 8 8.12 (d, J=2. 5 HZ, 1H), 7.63 (d, J=8.3 Hz, 2H), 7.38 (dd, J=7.9, 7.9 Hz, 2H), 7.11 (dd, J=7.3, 7.3 Hz, 1H), 5.73 (d, J=2.5 Hz, 1H), 5.06 (brs, 2H)
  • 2
  • [ 61310-53-0 ]
  • [ 57297-29-7 ]
  • [ 265324-26-3 ]
YieldReaction ConditionsOperation in experiment
85.0% 2-Cyclopropylpyrimidin-4-amine A suspension of cyclopropylcarbamidine hydrochloride (1.0 g, 8.3 mmol) in sodium methoxide (0.5 M in MeOH, 16.6 mL, 8.3 mmol) was allowed to stir at rt for 30 min. The mixture was then filtered and concentrated. Ethoxyacrylonitrile (0.85 mL, 8.3 mmol) was added and the reaction was allowed to stir at 135° C. for 3 h, then allowed to cool to rt and stir for another 16 h. The reaction was concentrated and the crude product was purified by column chromatography to provide 2-cyclopropylpyrimidin-4-amine (1.10 g, 85.0percent) as a solid. LCMS (FA): m/z=136.2 (M+H).
  • 3
  • [ 61310-53-0 ]
  • [ 100-63-0 ]
  • [ 1128-56-9 ]
YieldReaction ConditionsOperation in experiment
48% With potassium tert-butylate; In tert-butyl alcohol; at 100℃; for 16h; Potassium te/ -butoxide (1 1 .9 g, 106.3 mmol) was dissolved in tBuOH (1 OOmL) and the solution was heated to 100 C. Phenyl hydrazine (5 g, 46.2 mmol) and 3-ethoxy acrylonitrile (4.5 g, 46.2 mmol) were sequentially added and heating continued for 16 h. The mixture was concentrated in vacuo. The residue obtained was partitioned between water (500 mL) and ethyl acetate (500 mL). The organic extract was washed with water (250 mL), brine (250 mL), dried (Na2S04) and concentrated in vacuo. The crude product was purified by column chromatography on silica gel using 25% EtOAc-hexanes eluent to give 1 - phenyl-1 H-pyrazol-3-amine as a pale brown solid (3.5 g, 48%). 1H NMR (400 MHz, CDCI3): delta = 7.69 (s, 1 H), 7.57 (d, J= 8.0 Hz, 2H), 7.41 (d, J= 8.0 Hz, 2H), 7.2 (t, J = 7.6 Hz, 1 H), 5.85 (s, 1 H), 3.83 (br.s., 2H). LCMS (m/z): 160.3 (M+1 )+.
 

Historical Records

Technical Information

Categories