2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-

Base Information

• Chemical Name: 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
• CAS No.: 16493-96-2
• Molecular Formula: C8H14O2
• European Community (EC) Number: 638-881-4
• DSSTox Substance ID: DTXSID30884911
• Nikkaji Number: J1.595.365I,J122.006C
• Wikidata: Q76305305
• Mol file: 16493-96-2.mol

Synonyms:2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-;16493-96-2;2-Hexenoic acid, 2-methyl-, methyl ester;SCHEMBL2535313;SCHEMBL19601525;DTXSID30884911;PSOAOBLLWDXJGD-VOTSOKGWSA-N;2-Methyl-2-hexenoic acid methyl ester;Methyl (2E)-2-methyl-2-hexenoate #;(E)-2-Methyl-2-hexenoic acid methyl ester;50652-82-9

Chemical Property of 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC=C(C)C(=O)OC
• Isomeric SMILES: CCC/C=C(\C)/C(=O)OC

Technology Process of 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-

There total 9 articles about 2-Hexenoic acid, 2-methyl-, methyl ester, (2E)- 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: 85.0%

methyl (2Z)-2-(bromomethyl)hex-2-enoate (87050-38-2) → (E)-2-methyl-2-hexenoic acid, methyl ester (16493-96-2,50652-82-9)

Guidance literature:

With copper; acetic acid; zinc; In dichloromethane; at 0 - 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2004.08.018

Reference yield: 84.0%

3-acetoxy-2-methylenehexanoic acid methyl ester (87050-27-9) → (E)-2-methyl-2-hexenoic acid, methyl ester (16493-96-2,50652-82-9)

Guidance literature:

With lithium triethylborohydride; at -50 - -30 ℃;

Reference yield: 72.0%

methyl 3-hydroxy-2-methylenehexanoate (18020-64-9) → methyl (Z)-2-methyl-2-hexenoate (139539-80-3,50652-82-9) + (E)-2-methyl-2-hexenoic acid, methyl ester (16493-96-2,50652-82-9)

Guidance literature:

With aluminum oxide; sodium tetrahydroborate; for 0.2h; microwave irradiation;

DOI:10.1081/SCC-100104425

upstream raw materials:

methanol

(E)-2-methyl-2-hexenoic acid

3-acetoxy-2-methylenehexanoic acid methyl ester

trimethyl 2-phosphonopropionate