Cas no 90397-38-9 (2-Methylpentyl 2-methylvalerate)

2-Methylpentyl 2-methylvalerate structure
90397-38-9 structure
Product Name:2-Methylpentyl 2-methylvalerate
CAS No:90397-38-9
MF:C12H24O2
MW:200.317764282227
CID:61414
Update Time:2023-11-06

2-Methylpentyl 2-methylvalerate Chemical and Physical Properties

Names and Identifiers

    • 2-Methylpentyl 2-methylvalerate
    • 2-Methylpentyl 2-methylpentanoate
    • ARABINOXYLAN
    • Pentanoic acid,2-methyl-,2-methylpentyl ester
    • 2-Methylpentyl 2-methylpentanoate (ACI)
    • Peranat
    • Inchi: 1S/C12H24O2/c1-5-7-10(3)9-14-12(13)11(4)8-6-2/h10-11H,5-9H2,1-4H3
    • InChI Key: UMFWRNLJDQMTFR-UHFFFAOYSA-N
    • SMILES: O=C(C(CCC)C)OCC(CCC)C

Computed Properties

  • Exact Mass: 200.17800

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.40200

2-Methylpentyl 2-methylvalerate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Di-μ-chlorotetrakis[(1,2-η)-cyclooctene]diiridium ;  20 h, 95 °C
Reference
Oxidative dimerization of primary alcohols to esters catalyzed by iridium complexes
Izumi, Aki; et al, Tetrahedron Letters, 2006, 47(52), 9199-9201

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Bromine Solvents: Dichloromethane ,  Water ;  6 h, rt
Reference
Catalytic Processes of Oxidation by Hydrogen Peroxide in the Presence of Br2 or HBr. Mechanism and Synthetic Applications
Amati, Alessandro; et al, Organic Process Research & Development, 1998, 2(4), 261-269

Production Method 3

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: 2305295-37-6 Solvents: Toluene ;  96 h, 110 °C
Reference
Synthesis of Unsymmetrical N-Heterocyclic Carbene-Nitrogen-Phosphine Chelated Ruthenium(II) Complexes and Their Reactivity in Acceptorless Dehydrogenative Coupling of Alcohols to Esters
He, Xiaochun; et al, Organometallics, 2019, 38(8), 1750-1760

Production Method 4

Reaction Conditions
1.1 Catalysts: [μ-[1,2-Benzenediolato(2-)-κO:κO′]]tetrakis(2-propanolato)dialuminum Solvents: Dichloromethane ,  Toluene
1.2 Reagents: Hydrochloric acid Solvents: Water
Reference
Symmetric esters by Tischtschenko reaction of aldehydes catalyzed by bi- and tridentate catalysts derived from catechol or gallol, trimethylaluminum and isopropanol
Simpura, Ilkka; et al, Tetrahedron, 2001, 57(49), 9867-9872

2-Methylpentyl 2-methylvalerate Preparation Products

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