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[ CAS No. 4221-99-2 ] {[proInfo.proName]}

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Chemical Structure| 4221-99-2
Chemical Structure| 4221-99-2
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Product Details of [ 4221-99-2 ]

CAS No. :4221-99-2 MDL No. :MFCD00064281
Formula : C4H10O Boiling Point : -
Linear Structure Formula :CH(OH)(CH3)(CH2CH3) InChI Key :BTANRVKWQNVYAZ-BYPYZUCNSA-N
M.W : 74.12 Pubchem ID :444683
Synonyms :
Chemical Name :(S)-Butan-2-ol

Safety of [ 4221-99-2 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P260-P261-P264-P271-P280-P303+P361+P353-P304-P304+P340-P305+P351+P338-P312-P337+P313-P340-P370+P378-P403-P403+P233-P403+P235-P405-P501 UN#:1987
Hazard Statements:H225-H319-H335-H336 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 4221-99-2 ]

* 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 [ 4221-99-2 ]

[ 4221-99-2 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 4221-99-2 ]
  • [ 67515-59-7 ]
  • [ 635702-32-8 ]
YieldReaction ConditionsOperation in experiment
CARBOXYLIC ACID 8; 3-Trifluoromethyl-4- (2- (S)-butoxy) benzoic acid; Step A:; 3-Trifluoromethyl-4- (2- (S)-butoxy) benzonitrile; A solution of 1.1 g (5.9 mmol) of <strong>[67515-59-7]4-fluoro-3-trifluoromethylbenzonitrile</strong> and 485 mg (6.5 mmol) of (S)- (+)-2-butanol in 10 mL of THF at-10C was treated with 235 mg (5.9 mmol) of sodium hydride. The resulting mixture was stirred cold for 2 h, then quenched with 10 mL of H20. The quenched solution was extracted with 30 mL of Et20, dried over MgS04 and concentrated. Chromatography on a Biotage 40M cartridge using 4: 1 v/v hexanes/Ethyl acetate as the eluant afforded 550 mg of the title compound : 1H NMR (500 MHz) 8 0.99 (t, J= 7.6, 3H), 1.35 (d, J= 6.2, 3H), 1.58-1. 83 (m, 2H), 4.51 (septet, 1H), 7.04 (d, J= 8.7, 1H), 7.75 (d, J= 8.7, 1H), 7.85 (s, 1H).
With sodium hydride; In tetrahydrofuran; at -10℃; for 2h; A solution of 1.1 g (5.9 mmol) of <strong>[67515-59-7]4-fluoro-3-trifluoromethylbenzonitrile</strong> and 485 mg (6.5 mmol) of (S)-(+)-2-butanol in 10 mL of THF at -lOoC was treated with 235 mg (5.9 mmol) of sodium hydride. The resulting mixture was stirred at cold for 2 h, then quenched with 10 mL of H2O. The quenched solution was extracted with 30 mL of Et2theta, dried over MgS O4 and concentrated. Chromatography on a Biotage 4OM cartridge using 4:1 v/v Ixexanes/Ethyl acetate as the eluant afforded 550 mg of the title compound: lH NMR delta 0.99 (t, J = 7.6, 3H), 1.35 (d, J = 6.2, 3H), 1.58 - 1.83 (m, 2H), 4.51 (septet, IH), 7.04 (d, J = 8.7, IH), 7.75 (d, J = 8.7, IH), 7.85 (s, IH).
With sodium hydride; In tetrahydrofuran; at -10℃; for 2h; A solution of 1.1 g (5.9 mmol) [OF 4-FLUORO-3-TRIFLUOROMETHYLBENZONITRILE] and 485 mg (6.5 mmol) of [(S)- (+)-2-BUTANOL] in 10 [ML] [OF THF AT-10 C] was treated with 235 mg (5.9 mmol) of sodium hydride. The resulting mixture was stirred cold for 2 h, then quenched with 10 [ML] of [H2O.] The quenched solution was extracted with 30 mL of [ET20,] dried over [MGS04] and concentrated. Chromatography on a Biotage 40M cartridge using 4: 1 v/v hexanes/EtOAc as the eluant afforded 550 mg of the title compound [: IH] NMR (500 Mhz) 8 0.99 (t, J=7.6, 3H), 1.35 (d, J=6.2, 3H), 1.58-1. 83 (m, 2H), 4.51 (septet, 1H), 7.04 (d, J=8.7, 1H), 7.75 (d, J=8.7, 1H), 7.85 (s, 1H).
With sodium hydride; In tetrahydrofuran; at -10℃; for 2h; A solution of 1.1 g (5.9 mmol) of 4-fluoro-3- trifluoromethylbenzonitrile and 485 mg (6.5 mmol) of [(S)- (+)-2-BUTANOL] in 10 mL of THE at-10 C was treated with 235 mg (5.9 mmol) of sodium hydride. The resulting mixture was stirred cold for 2 h, then quenched with 10 mL of [H2O.] The quenched solution was extracted with 30 mL [OF ET20,] dried over [MGS04] and concentrated. Chromatography on a Biotage 40M cartridge using 4: 1 v/v hexanes/EtOAc as the eluant afforded 550 mg of the title compound [: 1H] NMR (500 Mhz) [5] 0.99 (t, J=7.6, 3H), 1.35 (d, J=6.2, 3H), 1.58-1. 83 (m, 2H), 4.51 (septet, 1H), 7.04 (d, J=8.7, 1H), 7.75 (d, J=8.7, 1H), 7.85 (s, 1H).
With sodium hydride; In tetrahydrofuran; at -10℃; for 2h; A solution of 1.1 g (5.9 mmol) of <strong>[67515-59-7]4-fluoro-3-trifluoromethylbenzonitrile</strong> and 485 mg (6.5 mmol) of (S)- (+)-2-BUTANOL in 10 mL of THF AT-10C was treated with 235 mg (5.9 mmol) of sodium hydride. The resulting mixture was stirred cold for 2 h, then quenched with 10 mL of H2O. The quenched solution was extracted with 30 mL of Et20, dried over MGS04 and concentrated. Chromatography on a Biotage 40M cartridge using 4: 1 v/v hexanes/Ethyl acetate as the eluant afforded 550 mg of the title compound : 1H NMR (500 MHz) 5 0.99 (t, J= 7.6, 3H), 1.35 (d, J= 6.2, 3H), 1.58-1. 83 (m, 2H), 4. 51 (septet, 1H), 7.04 (d, J= 8.7, 1H), 7.75 (d, J= 8.7, 1H), 7.85 (s, 1H).

  • 2
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  • 3
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