Reaction #3881053
Related Literature (1)
openreactiondata ↗doi:10.1039/C8SC04228D
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4d652ab01877464d94d723198abe7bb9No renderable structure data available
CCCCCCCC(=O)[O-]Chemical Intermediate
Structures, identifiers and computed properties have been matched to the database record by CAS.
| Intermediates | octanoate |
|---|---|
| IUPAC Name | — |
| CAS Number | 74-81-7 |
| Database ID | 119389 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
octanoate (CAS 74-81-7) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
Potential Applications
For professional research and industrial use only
Database ID 119389
Safety Notice
For professional research and industrial use only. Review the supplier safety data sheet before handling.
Synthesis data
12 reactions · 12 references
Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-4d652ab01877464d94d723198abe7bb9Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-9326f1df22854a1db3e7510e2f1904b6Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-hydroxy-3-octanoyloxypropyl octanoate (5.0 g.) in ether (30 ml.) was stirred with triethylamine (2.04 ml.) and glutaric anhydride (1.66 g.) for 3.5 hours. Further glutaric anhydride (0.8 g.) was then added together with triethylamine (1.0 ml.). This mixture was heated under reflux until no further starting octanoate could be detected by thin layer chromatography (silica: methylene chloride). The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.), then with water (2×20 ml.), dried (MgSO4) and evaporated to give 2-octanoyloxy-1-(octanoyloxymethyl)ethyl hydrogen glutarate as an oil (6.62 g.); NMR (CDCl3): 0.9 (6H, t, CH3), 1.1-2.1 (22H, m, CH2), 2.4 (8H, m, CH2CO), 4.0-4.4 (4H,m, CH2O), 5.1-5.4 (1H, br.t, CHO), 9.6 (1H, br.s, CO2H)ppm. Mass spectrum (major diagnostic peaks based on M=458, using chemical ionisation techniques): m/e 476 (M+NH4), 360 (M +NH4 --HO2C.(CH2)3.CO2H) This mixture was heated under reflux until The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.) with water (2×20 ml.), dried (MgSO4) evaporated
Source ID: ord-7f45509cc2254f9f8333e2ba5f1b0838Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-hydroxy-3-octanoyloxypropyl octanoate (5.0 g.) in ether (30 ml.) was stirred with triethylamine (2.04 ml.) and glutaric anhydride (1.66 g.) for 3.5 hours. Further glutaric anhydride (0.8 g.) was then added together with triethylamine (1.0 ml.). This mixture was heated under reflux until no further starting octanoate could be detected by thin layer chromatography (silica: methylene chloride). The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.), then with water (2×20 ml.), dried (MgSO4) and evaporated to give 2-octanoyloxy-1-(octanoyloxymethyl)ethyl hydrogen glutarate as an oil (6.62 g.); NMR (CDCl3): 0.9 (6H, t, CH3), 1.1-2.1 (22H, m, CH2), 2.4 (8H, m, CH2CO), 4.0-4.4 (4H,m, CH2O), 5.1-5.4 (1H, br.t, CHO), 9.6 (1H, br.s, CO2H)ppm. Mass spectrum (major diagnostic peaks based on M=458, using chemical ionisation techniques): m/e 476 (M+NH4), 360 (M +NH4 --HO2C.(CH2)3.CO2H) This mixture was heated under reflux until The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.) with water (2×20 ml.), dried (MgSO4) evaporated
Source ID: ord-7f45509cc2254f9f8333e2ba5f1b0838Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Dehesh et al. (1996, Plant J. 9(2):167-172) describe the expression of a FATB cDNA (Ch FATB2) from the Mexican shrub Cuphea hookeriana, which accumulates up to 75 mol % caprylate (C8:0) and caprate (C10:0) in its seed oil, in seeds of transgenic canola, which normally does not accumulate these fatty acids, resulting in the accumulation of caprylate (C8:0), caprate (C10:0) and laurate (C12:0) up to 11, 27 and 2 mol %, respectively.
Source ID: ord-30d26ec8aac34b33a2374c5e3101439cConditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: One gram of sodium octanoate and one gram of levofloxacin were dissolved in 100 ml water. The pH was slowly adjusted to 6.0 by the addition of 1 M HCl. As the pH decreased, levofloxacin became protonated formed an insoluble HIP with the negatively charged octanoate. The precipitate was gathered by filtration to remove excess levofloxacin, dissolved sodium octanoate/octanoic acid, and salt. The sample was lyophilized overnight.
Source ID: ord-3c6fcf879372438aa17574c118390070Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Octyldodecyl Benzoate, Lactate, Neopentanoate or Octanoate
Source ID: ord-e1fe5c49e8ed44859c5af54da8f20e14Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Octyldodecyl Benzoate, Lactate, Neopentanoate or Octanoate
Source ID: ord-e1fe5c49e8ed44859c5af54da8f20e14Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Isostearyl Benzoate, Lactate, Neopentanoate, Octanoate, Palmitate or Myristate
Source ID: ord-824f3a04e18049fca763b4946bc28af9Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: A solution of 2-hydroxy-3-octanoyloxypropyl octanoate (5.0 g.) in ether (30 ml.) was stirred with triethylamine (2.04 ml.) and glutaric anhydride (1.66 g.) for 3.5 hours. Further glutaric anhydride (0.8 g.) was then added together with triethylamine (1.0 ml.). This mixture was heated under reflux until no further starting octanoate could be detected by thin layer chromatography (silica: methylene chloride). The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.), then with water (2×20 ml.), dried (MgSO4) and evaporated to give 2-octanoyloxy-1-(octanoyloxymethyl)ethyl hydrogen glutarate as an oil (6.62 g.); NMR (CDCl3): 0.9 (6H, t, CH3), 1.1-2.1 (22H, m, CH2), 2.4 (8H, m, CH2CO), 4.0-4.4 (4H,m, CH2O), 5.1-5.4 (1H, br.t, CHO), 9.6 (1H, br.s, CO2H)ppm. Mass spectrum (major diagnostic peaks based on M=458, using chemical ionisation techniques): m/e 476 (M+NH4), 360 (M +NH4 --HO2C.(CH2)3.CO2H) This mixture was heated under reflux until The cooled reaction mixture was washed with 1M hydrochloric acid (2×20 ml.) with water (2×20 ml.), dried (MgSO4) evaporated
Source ID: ord-7f45509cc2254f9f8333e2ba5f1b0838Conditions: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
Procedure: Octyldodecyl Benzoate, Lactate, Neopentanoate or Octanoate
Source ID: ord-e1fe5c49e8ed44859c5af54da8f20e14Conditions: temp:0.00; pressure:0.00; stir:
Source ID: ord-9326f1df22854a1db3e7510e2f1904b6PubChem References
These sources are listed in the compound's public database record.
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