Home Cart Sign in  
Chemical Structure| 86618-06-6 Chemical Structure| 86618-06-6

Structure of 86618-06-6

Chemical Structure| 86618-06-6

*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 [ 86618-06-6 ]

CAS No. :86618-06-6
Formula : C12H15ClO2
M.W : 226.70
SMILES Code : CC(C)C(C1=CC=C(Cl)C=C1)C(OC)=O
MDL No. :MFCD12913650

Safety of [ 86618-06-6 ]

Application In Synthesis of [ 86618-06-6 ]

* 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 [ 86618-06-6 ]

[ 86618-06-6 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67-56-1 ]
  • [ 2012-74-0 ]
  • [ 86618-06-6 ]
YieldReaction ConditionsOperation in experiment
100% sulfuric acid; at 20℃; To a solution of commercial <strong>[2012-74-0]2-(4-chlorophenyl)-3-methylbutyric acid</strong> (1 g, 4.7 mmol) in CH3OH (10 mL), few drops of cone. H2SO4 were added, and the resulting mixture was left stirring at room temperature overnight. After solvent evaporation under vacuum, CH2Cl2 (10 mL) and H2O (10 mL) were added; the two phases were separated and the organic one dried over Na2SO4, filtered and evaporated under vacuum to give the intermediate methyl 2-(4-chlorophenyl)-3-methylbutanoate as an <n="18"/>oily residue (quantitative yield). This intermediate was transformed in the related methyl 2-(4-hydroxyphenyl)-3-methylbutanoate according a known procedure3: a mixture of methyl 2-(4-chlorophenyl)-3-methylbutanoate (1.06 g, 4.7 mmol), 60% sodium hydride (0.56 g, 14.1 mmol) and H2O (85 muL, 4.7 mmol) was heated to 45C while kept at argon atmosphere for 3 days (1H-NMR analysis). The solvent was evaporated and the residue diluted with EtOAc and washed with IN HCl (2 x 5 mL); the solvent was evaporated under vacuum and the crude residue was purified by flash chromatography (CHCI3/CH3OH 85: 15) to give the pure intermediate as an oil (0.75 g, 77% yield). 1H-NMR (CDCl3) delta 7.18 (d, 2H, J = 7Hz), 6.82 (d, 2H, J = 7Hz), 5.75 (bs, IH, OH), 3.70 (s, 3H), 3.15 (d, IH, J = 14Hz), 2.55 (m, IH), 1.10 (d, 3H, J = 7Hz), 0.72 (d, 3H, J = 7Hz). The steps of insertion of the triflate group and the following hydrolysis were performed as described1 and 3-methyl-2-[4- (trifluoromethylsulfonyloxy)phenyl]butanoic acid was obtained as a colourless oil (0.91 g, 78% yield calculated from the 4-hydroxy methyl ester derivative). The optical resolution was performed as described.4 (2R)-3-methyl-2-[4- (trifluoromethylsulfonyloxy)phenyl]butanoic acid (0.32 g, 35% yield) was obtained as a white solid. [alpha]D25 (c=l, CH3OH): -50; 1H-NMR (CDCl3) delta 7.55 (d, 2H, J = 7Hz), 7.25 (d, 2H, J = 7Hz), 3.15 (d, IH, J = 14Hz), 2.55 (m, IH), 1.10 (d, 3H, J = 7Hz), 0.72 (d, 3H, J = 7Hz).
 

Historical Records

Technical Information

Categories