Methyl 5-methylhex-5-enoate

Base Information

• Chemical Name: Methyl 5-methylhex-5-enoate
• CAS No.: 32853-30-8
• Molecular Formula: C8H14O2
• Molecular Weight: 142.19600
• European Community (EC) Number: 608-793-0
• DSSTox Substance ID: DTXSID60349003
• Nikkaji Number: J93.610C
• Wikidata: Q82124019
• Mol file: 32853-30-8.mol

Synonyms:methyl 5-methylhex-5-enoate;32853-30-8;5-Methyl-5-hexenoic acid methyl ester;methyl5-methylhex-5-enoate;Methyl 5-methyl-5-hexenoate;methyl 5-methyl-hex-5-enoate;SCHEMBL1983623;methyl 5-methyl-hex-5 -enoate;DTXSID60349003;MFCD00082169;DS-19548;5-hexenoic acid, 5-methyl-, methyl ester;CS-0160700;FT-0660866;C74671;A821460

Chemical Property of Methyl 5-methylhex-5-enoate

Chemical Property:

• Vapor Pressure: 1.53mmHg at 25°C
• Refractive Index: 1.429 (589.3 nm 20℃)
• Boiling Point: 169.6oC at 760 mmHg
• Flash Point: 64oC
• PSA: 26.30000
• Density: 0.894g/cm3
• LogP: 1.90580
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

98.5% ^*data from raw suppliers

Methyl5-Methylhex-5-enoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)CCCC(=O)OC

Technology Process of Methyl 5-methylhex-5-enoate

There total 14 articles about Methyl 5-methylhex-5-enoate 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: 83.0%

dimethyl 2-(3-methylbut-3-enyl)propane-1,3-dioate (112391-42-1) → Methyl 5-methyl-5-hexenoate (32853-30-8)

Guidance literature:

With sodium chloride; In water; N,N-dimethyl-formamide; for 28h; Reflux; Inert atmosphere;

DOI:10.1246/bcsj.80.1597

Reference yield: 46.0%

methanol (67-56-1) + 5-methyl-1,5-hexadien-3-one (998-83-4) → Methyl 5-methyl-5-hexenoate (32853-30-8) + 4-Methylbicyclo<2.1.1>hexan-2-on (41414-48-6)

Guidance literature:

Irradiation;

DOI:10.1021/ja00015a041

Reference yield: 21.0%

5-methyl-1,5-hexadien-3-one (998-83-4) → Methyl 5-methyl-5-hexenoate (32853-30-8) + 4-Methylbicyclo<2.1.1>hexan-2-on (41414-48-6)

Guidance literature:

In methanol; Irradiation;

DOI:10.1021/ja00015a041

upstream raw materials:

acrylic acid methyl ester

isobutene

methanol

5-methyl-1,5-hexadien-3-one

Downstream raw materials:

methyl 5-methyl-hex-4-enoate

2,5-bis-(5'-methoxycarbonyl-2'-methyl-pent-2'-yl)-4-methoxyphenol

Methyl 5-(3'-acetyl-2'4'-dihydroxyphenyl)-5-methyl hexanoate

5-methylhex-5-enoic acid

Refernces

• 1、 -. "CANNABINOID DERIVATIVES AND PRECURSORS, AND ASYMMETRIC SYNTHESIS FOR SAME". Page/Page column 57; 82. . Retrieved 2021/03/19.
• 2、 Heinz, Uwe,Adams, Elisabeth,Klintz, Ralf,Welzel, Peter. "2-TOSYLOXYMETHYLCYCLANONES: RING SIZE DEPENDENCE OF FRAGMENTATION VERSUS INTRAMOLECULAR ALKYLATION". . p. 4217 - 4230. Retrieved 2007/10/02.