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Chemical Structure| 591-68-4 Chemical Structure| 591-68-4
Chemical Structure| 591-68-4

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Product Details of Butyl Valerate

CAS No. :591-68-4
Formula : C9H18O2
M.W : 158.24
SMILES Code : CCCCC(OCCCC)=O
MDL No. :MFCD00015258
InChI Key :OKJADYKTJJGKDX-UHFFFAOYSA-N
Pubchem ID :61137

Safety of Butyl Valerate

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of Butyl Valerate

* 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 [ 591-68-4 ]

[ 591-68-4 ] Synthesis Path-Downstream   1~30

  • 1
  • [ 71-36-3 ]
  • [ 109-52-4 ]
  • [ 591-68-4 ]
YieldReaction ConditionsOperation in experiment
In water; at 40℃; for 2h;Enzymatic reaction;Catalytic behavior; General procedure: The conversion of valeric acid to ethyl valerate was investigated in order to evaluate the activityof the synthetized biocatalysts. Valeric acid and different alcohols (EtOH, MeOH, iPrOH, BuOH) wereused as reaction substrates. For optimization purposes, different experimental sets were conducted in order to evaluate thebiocatalyst load (molar ratio 1:2 of valeric acid to EtOH, 1000 rpm, 40 °C, 2 h in CH batch reactor),the presence of water (1:2 molar ratio valeric acid to EtOH, 12percent m/v of biosilicified enzyme, 1000 rpm, 40 °C, 2 h CH in batch reactor), the stirring rate (different molar ratios of valeric acid to EtOH, 12percent m/vof biosilicified enzymes, 250?1000 rpm, 40 °C, 2 h CH in batch reactor) and the reaction temperature(different molar ratios of valeric acid to EtOH, 12percent m/v of biosilicified enzyme, 1000 rpm, 2 h CH inbatch reactor). In a typical esterification reaction, valeric acid was added to each alcoholic solution at 1:1, 1:2 and1:3 molar ratios. In all the experiments 12percent m/v of biosilicified lipase was used. Mixtures were placed ina microwave reactor (CEM-Discover, Matthews, NC, USA) or in a Carousel Reaction Station? (RadleyDiscovery Technologies, Saffron Walden, UK) for MW or CH experiments, respectively. Esterificationwas conducted for 2 h in all cases, with continuous temperature measurement and periodic sampling.Blank reactions containing the free CalB were run under identical conditions using comparable enzymequantities (12percent m/v of not-immobilized CalB).
  • 2
  • [ 2082-59-9 ]
  • [ 591-68-4 ]
  • 5
  • [ 61097-75-4 ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • 6
  • [ 201230-82-2 ]
  • [ 2374-26-7 ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • 9
  • [ 925-19-9 ]
  • [ 106-98-9 ]
  • [ 111-65-9 ]
  • [ 591-68-4 ]
  • [ 106-97-8 ]
  • [ 109-52-4 ]
  • 10
  • [ 24406-16-4 ]
  • [ 81357-55-3 ]
  • [ 591-68-4 ]
  • 11
  • [ 201230-82-2 ]
  • [ 71-36-3 ]
  • [ 137-32-6 ]
  • [ 71-41-0 ]
  • [ 123-86-4 ]
  • [ 502-56-7 ]
  • [ 591-68-4 ]
  • [ 106-97-8 ]
  • 13
  • [ 123-86-4 ]
  • [ 201230-82-2 ]
  • [ 591-68-4 ]
  • [ 802294-64-0 ]
  • [ 141-78-6 ]
  • [ 142-62-1 ]
  • [ 106-97-8 ]
  • [ 109-52-4 ]
  • 14
  • [ 141-32-2 ]
  • tetramethylammonium phenyltriethylborate [ No CAS ]
  • [ 591-68-4 ]
  • 15
  • (±)-1-phenethylpentanoate [ No CAS ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • [ 1517-69-7 ]
  • [ 16197-93-6 ]
  • 19
  • [ 542-69-8 ]
  • [ 201230-82-2 ]
  • [ 591-68-4 ]
  • [ 109-52-4 ]
  • 20
  • [ 201230-82-2 ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • 22
  • [ 1540-36-9 ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • 23
  • [ 123-76-2 ]
  • dioxane [ No CAS ]
  • [ 591-68-4 ]
  • [ 34912-28-2 ]
  • [ 108-29-2 ]
  • [ 109-52-4 ]
YieldReaction ConditionsOperation in experiment
With hydrogen; at 199.84℃; under 30003.0 Torr; for 4h;Autoclave;Catalytic behavior; In a typical reaction, the batch autoclave reactor was loaded with catalyst, substrate, and solvent, purged three times with argon after which the reaction mixture was heated to reaction temperature and charged with H2 to 40 bar. This was taken as the starting point of the reaction. After the reaction was cooled to room temperature, the H2 was released, and 2 wtpercent anisole was added as internal standard. The catalyst was separated by centrifugation, filtration, and finally washed with acetone. The reaction products were analyzed using a Shimadzu GC-2010A gas chromatograph equipped with a CP-WAX 57-CB column (25 m × 0.2 mm × 0.2 mum) and FID detector. Products were identified with a GC?MS from Shimadzu with a CP-WAX 57CB column (30 m × 0.2 mm × 0.2 mum). The gas-phase reaction products were analyzed by an online dual channel Varian CP4900 micro-GC equipped with a COX column and TCD detector, for analysis of H2, CO2, CO, and CH4. Dioxane runs were performed with 10 wtpercent levulinic acid (2.5 g, 21.5 mmol) in dioxane (22.5 g) over a series of 1 wtpercent Ru catalysts (0.3 g) containing different supports. The reactions were run in a 50 mL Parr batch autoclave at a temperature of 473 K for 4 h using a hydrogen pressure 40 bar and a stirring speed of 1600 rpm. 2-Ethylhexanoic acid runs were performed with 10 wtpercent levulinic acid (6.0 g, 51.7 mmol) in 2-ethylhexanoic acid (54 g) with 1 wtpercent Ru catalysts (0.6 g). The reactions were run in 100 mL Parr batch autoclave at a temperature of 473 K for 10 h using a hydrogen pressure 40 bar and a stirring speed of 1600 rpm. 1 mL of solution was sampled at various intervals during the reaction. Reactions with intermediates GVL (2.2 g, 21.5 mmol) or PEA (2.2 g, 21.5 mmol) in EHA (22.8 g) were conducted with 0.3 g of catalyst in the 50 mL Parr batch autoclave. Finally, neat LA runs were performed with LA (20 g, 172 mmol) over 1 wtpercent Ru catalysts (0.3 g or 0.5 g). The reactions were run in a 50 mL Parr batch autoclave at a temperature of 473 K for 4 h and 10 h using a hydrogen pressure 40 bar and a stirring speed of 1600 rpm.
  • 25
  • [ 110-62-3 ]
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  • [ 591-68-4 ]
  • 26
  • [ 107-92-6 ]
  • [ 71-36-3 ]
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  • 27
  • [ 591-68-4 ]
  • [ 119511-77-2 ]
  • [ 407-25-0 ]
  • [ 1292292-81-9 ]
YieldReaction ConditionsOperation in experiment
48% CAL-B (4.5 g, 50 mg/mL) was added to a solution of Compd 2 (0.90 g, 4.39 mmol) and<strong>[591-68-4]BuCO2Bu</strong> (6.34 g, 44.00 mmol) in DIPE (90.0 mL) in the presence of 4 A MS (30 mg/mL). Thereaction was stopped at 49percent conversion by filtering off the enzyme after 24 h. (CF3CO)20 (5.26 g, 21.80 mmol) in CH2C12 (60 mL) was added to the above filtrate and the reaction mixture was stirred for 2 hours before evaporating the solvent. The residue was purified on a silica gel column (petroleum ether/ethyl acetate, 20:1), affording oily N-trifluoroacetylated Compd-3 (Rf = 0.17; 0.69g, 0.70 mmol, 48percent, ee 99percent). LC-MS: m/z = 330.2[M+H]
  • 28
  • [ 108-29-2 ]
  • [ 71-36-3 ]
  • [ 591-68-4 ]
  • 29
  • [ 591-68-4 ]
  • ethyl 1-amino-5-bromo-2,3-dihydro-1H-indene-1-carboxylate [ No CAS ]
  • [ 407-25-0 ]
  • (S)-butyl 5-bromo-1-(2,2,2-trifluoroacetamido)-2,3-dihydro-1H-indene-1-carboxylate [ No CAS ]
  • C14H13BrF3NO3 [ No CAS ]
  • 30
  • [ 591-68-4 ]
  • [ 119511-77-2 ]
  • [ 407-25-0 ]
  • [ 1292292-77-3 ]
  • [ 1292292-81-9 ]
 

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