Home Cart Sign in  
Chemical Structure| 1072951-60-0 Chemical Structure| 1072951-60-0

Structure of 1072951-60-0

Chemical Structure| 1072951-60-0

*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 [ 1072951-60-0 ]

CAS No. :1072951-60-0
Formula : C14H12BF3O3
M.W : 296.05
SMILES Code : FC(C1=CC(OCC2=CC=CC=C2B(O)O)=CC=C1)(F)F
MDL No. :MFCD09038421

Safety of [ 1072951-60-0 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H413
Precautionary Statements:P264-P270-P273-P301+P312-P330

Application In Synthesis of [ 1072951-60-0 ]

* 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 [ 1072951-60-0 ]

[ 1072951-60-0 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 16870-28-3 ]
  • [ 1072951-60-0 ]
  • 2-hydroxy-4-[2-(3-trifluoromethylphenoxymethyl)phenyl]-benzoic acid potassium salt [ No CAS ]
  • 2
  • [ 16870-28-3 ]
  • [ 1072951-60-0 ]
  • 4-{2'-[3"-(trifluoromethyl)phenoxymethyl]phenyl}-2-hydroxybenzoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
79% With palladium diacetate; potassium carbonate; triphenylphosphine; In water; N,N-dimethyl-formamide; at 100℃; for 3h;Microwave irradiation; Inert atmosphere; Sealed tube; <strong>[16870-28-3]2-hydroxy-4-iodobenzoic acid</strong> (50 mg, 0.189 mmol), 2-[3'-(trifluoromethyl)phenoxymethyl]phenylboronic acid(67.2 mg, 0.227 mmol), PPh3 (7.4 mg, 0.028 mmol), K2CO3 (91.4 mg, 0.662 mmol), Pd(AcO)2 (2.12 mg, 0.0095 mmol), 1:1 DMF: H2O (2 ml) were used. Purification was carried out by flash chromatography using gradient elution with AcOEt: CH3CN:H2O:CH3OH mixtures from 70:2.5:2.5:1.25 to 70:10:5:5. Compound 93 was obtained as a syrup. Yield after purification: 79 % (58 mg). 1H NMR (400 MHz, acetone-d6) delta 7.91 (d, J = 8.5 Hz, 1H), 7.68 (m, 1H), 7.51-7.45 (m, 3H), 7.39 (m, 1H), 7.25 (d, J = 8.0 Hz, 1H), 7.22-7.18 (m, 2H), 7.03-7.00 (m, 2H), 5.14 (s, 2H). 13C NMR (101 MHz, acetone-d6) delta 172.3 (CO), 162.6 (C), 159.8 (C), 149.3 (C), 141.9 (C), 134.5 (C), 132.1 (c, JC-F = 32.0 Hz, C), 131.3 (CH), 131.2 (CH), 130.8 (CH), 130.5 (CH), 129.4 (CH), 129.2 (CH), 125.1 (c, JC-F = 271.6 Hz, CF3), 121.1 (CH), 119.6 (CH), 118.5 (CH), 118.3 (c, JC-F = 3.9 Hz, CH), 112.4 (c, JC-F = 3.9 Hz, CH), 112.1 (C), 69.2 (CH2). HRMS (TOF, ES-): Calculated for C21H14O4F3 (M-H)-: m/z 387.0844. 387.0845 found (deviation 0.3 ppm).
 

Historical Records

Technical Information

Categories