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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 646-07-1 Chemical Structure| 646-07-1
Chemical Structure| 646-07-1

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Synonyms: Isocaproic Acid

4.5 *For Research Use Only !

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

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Product Details of 4-Methylpentanoic acid

CAS No. :646-07-1
Formula : C6H12O2
M.W : 116.16
SMILES Code : CC(C)CCC(O)=O
Synonyms :
Isocaproic Acid
MDL No. :MFCD00002803
InChI Key :FGKJLKRYENPLQH-UHFFFAOYSA-N
Pubchem ID :12587

Safety of 4-Methylpentanoic acid

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H311-H315
Precautionary Statements:P280-P312
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of 4-Methylpentanoic acid

* 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 [ 646-07-1 ]

[ 646-07-1 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 3123-97-5 ]
  • [ 646-07-1 ]
YieldReaction ConditionsOperation in experiment
95% With palladium 10% on activated carbon; W(OTf)6; hydrogen; at 100℃; under 760.051 Torr; for 12h; Specific methods are as follows: propiolactone was added (0.36g, 5mmol), palladium on carbon (10%, 26.5mg, 0.025mmol, 0.5mol%) in the reactor and W (OTf)6(107.8mg, 0.1mmol, 2mol%). A hydrogen balloon connected to the top of the reactor, and the reactor was purged with hydrogen gas atmosphere. Hydrogen atmosphere at normal pressure, the reaction was stirred at 135 deg.] C after 12h, detected by gas, gamma- valerolactone complete conversion of starting material, and only n-valeric acid. The method carried out as follows completion of the hydrogenation reaction of the ring-opening reaction system separation, to obtain the desired product n-valeric acid: The reaction was completed reaction mixture was dissolved with methylene chloride, filtered to remove the palladium on carbon catalyst and W (OTf)699% yield measured propionic acid, purity of the product was 99%. NMR data for the product using the embodiment of the present invention is the NMR identified the product as follows:The specific reaction procedure and operation method were the same as in Example 27 except that the reaction temperature was changed to 100 C, the yield was 95%, and the purity of the product was 99%. The product was subjected to nuclear magnetic identification using the manner described in the present invention, and the NMR data of the product were as follows:
  • 4
  • [ 3123-97-5 ]
  • [ 10034-85-2 ]
  • red phosphorus [ No CAS ]
  • [ 646-07-1 ]
  • 5
  • [ 513-35-9 ]
  • [ 7732-18-5 ]
  • [ 10034-85-2 ]
  • carbon monoxide [ No CAS ]
  • nickel acetate [ No CAS ]
  • [ 14287-61-7 ]
  • [ 105-43-1 ]
  • [ 646-07-1 ]
  • 6
  • [ 646-07-1 ]
  • potassium permanganate [ No CAS ]
  • alkali [ No CAS ]
  • [ 3123-97-5 ]
  • 7
  • [ 646-07-1 ]
  • deuteriosulfuric acid [ No CAS ]
  • [ 15262-86-9 ]
  • 10
  • [ 646-07-1 ]
  • [ 3123-97-5 ]
  • [ 23327-19-7 ]
  • [ 74397-28-7 ]
  • 11
  • [ 646-07-1 ]
  • [ 5451-55-8 ]
  • [ 18942-49-9 ]
  • [ 71989-26-9 ]
  • C32H51N4O4Pol [ No CAS ]
  • 12
  • [ 646-07-1 ]
  • [ 5451-55-8 ]
  • [ 127095-92-5 ]
  • [ 71989-26-9 ]
  • C32H57N4O4Pol [ No CAS ]
 

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