METHYL 2-METHYLHEPTANOATE

Base Information

• Chemical Name: METHYL 2-METHYLHEPTANOATE
• CAS No.: 51209-78-0
• Molecular Formula: C9H18O2
• Molecular Weight: 158.241
• Hs Code.: 2915900090
• Mol file: 51209-78-0.mol

Synonyms:2-Methylheptanoicacid methyl ester;Methyl 2-methylheptanoate;2-Methylheptanoic acid methyl ester;

Chemical Property of METHYL 2-METHYLHEPTANOATE

Chemical Property:

• Boiling Point: 176.5 °C at 760 mmHg
• Flash Point: 59.4 °C
• PSA: 26.30000
• Density: 0.874 g/cm³
• LogP: 2.37580

Purity/Quality:

99% ^*data from raw suppliers

METHYL 2-METHYLHEPTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 2-METHYLHEPTANOATE

There total 2 articles about METHYL 2-METHYLHEPTANOATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methanol (67-56-1) + (E)-hept-2-ene (14686-13-6) + carbon monoxide (201230-82-2) → methyl 2-ethylhexanoate (816-19-3) + methyl 2-methylheptanoate (51209-78-0)

Guidance literature:

With bis-(2-methoxy-phenyl)-phenyl-phosphane; acetyl chloride; palladium dichloride; In 1,4-dioxane; at 100 ℃; for 48h; under 30003 Torr; Overall yield = > 99 %; Sealed tube;

DOI:10.1016/j.catcom.2017.04.006

Reference yield:

methanol (67-56-1) + 1-Heptene (592-76-7) + carbon monoxide (201230-82-2) → methyl octanate (111-11-5) + methyl 2-methylheptanoate (51209-78-0)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; at 110 ℃; for 4h; under 15001.2 Torr; Product distribution; effect of solvent, effect of CoCl₂ additive;

Reference yield: 84.6%

methyl 2-methylheptanoate (51209-78-0) → 2-methyl-1-heptanol (60435-70-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 25 - 30 ℃; for 1h;

DOI:10.1007/s00044-016-1768-7

upstream raw materials:

methanol

1-Heptene

carbon monoxide

(E)-hept-2-ene

Downstream raw materials:

2-methyl-1-heptanol

2-(R,S)-methyl-1-bromoheptane

2-methyl-1-(toluene-4-sulfonyloxy)-heptane

Refernces

• 1、 Zulu, Zethu,Nyamato, George S.,Tshabalala, Thandeka A.,Ojwach, Stephen O.. "Palladium(II) complexes of (pyridyl)imine ligands as catalysts for the methoxycarbonylation of olefins". . . Retrieved 2019/12/11.
• 2、 Kumar, Kamlesh,Darkwa, James. "Palladium(II) complexes bearing mixed N^N^X (X?=?O and S) tridentate ligands as pre-catalysts for the methoxycarbonylation of selected 1-alkenes". . p. 249 - 257. Retrieved 2017/10/27.