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Chemical Structure| 626-89-1 Chemical Structure| 626-89-1
Chemical Structure| 626-89-1

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Synonyms: Isohexanol; Isohexyl Alcohol; NSC 91492

4.5 *For Research Use Only !

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Product Details of 4-Methyl-1-pentanol

CAS No. :626-89-1
Formula : C6H14O
M.W : 102.17
SMILES Code : CC(C)CCCO
Synonyms :
Isohexanol; Isohexyl Alcohol; NSC 91492
InChI Key :PCWGTDULNUVNBN-UHFFFAOYSA-N
Pubchem ID :12296

Safety of 4-Methyl-1-pentanol

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225
Precautionary Statements:P210-P403+P235
Class:3
UN#:1987
Packing Group:

Application In Synthesis of 4-Methyl-1-pentanol

* 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 [ 626-89-1 ]

[ 626-89-1 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 626-89-1 ]
  • [ 26820-34-8 ]
  • [ 1049706-71-9 ]
YieldReaction ConditionsOperation in experiment
at 130℃; for 118.0h;Heating / reflux; Example P38: Preparation of 6-Methyl-2-(4-methyl-pentyloxy)-5-nitro-nicotinonitrile:In a 12 ml Supelco vessel , to 0.95 ml of 4-methyl-pentan-1-ol is added 1.00 g of 2-chloro-6- methyl-5-nitro-nicotinonitrile. After closing the vessel with a septum, the mixture is stirred under heating to reflux (oil bath temperature of 130 0C). The progress of the rection is monitored by thin layer chromatography. After 46 hours, an additional 0.53 ml of 4-methyl- pentan-1-ol is added and stirring continued under the specified conditions. After a heating period of 118 hours in total, the mixture is allowed to come to an ambient temperature. Then, the volatiles are removed in vacuo at a temperature of 50 0C to give 1.08 g of a brown oil. After purification by chromatography [silica gel cartridge (50 g, 100 ml), eluent: hexanes/ ethyl acetate 95:5 (v:v)], 690 mg of the title compound are obtained in the form of a yellow oil.1H NMR (400MHz, CDCI3): delta 0.93 (d, 6H), 1.34 (m, 2H), 1.62 (m, 1 H), 1.85 (m, 2H), 2.87 (s, 3H), 4.52 (t, 2H), 8.59 (s, 1 H).TLC: Plates: Merck DC-Plates, silica gel F254, saturated atmosphere in developing tank, UV detection, eluent: heptane/ ethyl acetate 2:1 (v:v); Rf of title compound = 0.59, R( of starting material = 0.52.
 

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