3-Oxo-6-heptenoic acid methyl ester

Base Information

• Chemical Name: 3-Oxo-6-heptenoic acid methyl ester
• CAS No.: 30414-57-4
• Molecular Formula: C8H12O3
• Molecular Weight: 156.181
• Hs Code.: 2918300090
• Mol file: 30414-57-4.mol

Synonyms:3-Oxohept-6-enoic acid methyl ester;6-Heptenoic acid,3-oxo-,methyl ester;3-oxo-6-heptenoic acid methyl ester;Methyl 3-oxo-6-heptenoate;methyl 3-oxo-hept-6-enoate;

Chemical Property of 3-Oxo-6-heptenoic acid methyl ester

Chemical Property:

• Boiling Point: 99-100 °C(Press: 15 Torr)
• PKA: 10.59±0.46(Predicted)
• PSA: 43.37000
• Density: 0.999±0.06 g/cm3(Predicted)
• LogP: 1.08480

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-oxo-6-heptenoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Oxo-6-heptenoic acid methyl ester

There total 1 articles about 3-Oxo-6-heptenoic acid methyl ester 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:

5-Hexen-2-one (109-49-9) + carbonic acid dimethyl ester (616-38-6) → methyl 3-oxohept-6-enoate (30414-57-4) + methyl 2-acetylpent-4-enoate (3897-04-9)

Guidance literature:

With sodium hydride; In benzene; for 0.5h; Yield given. Yields of byproduct given; Heating;

Reference yield: 99.0%

methyl 3-oxohept-6-enoate (30414-57-4) → 2-(methoxycarbonyl)cyclohexanone (41302-34-5)

Guidance literature:

With dichloro bis(acetonitrile) palladium(II); ytterbium(III) triflate; In 1,4-dioxane; at 20 ℃; for 10h;

DOI:10.1021/ol0349110

Reference yield: 98.0%

methyl 3-oxohept-6-enoate (30414-57-4) + benzylamine (100-46-9) → methyl (Z)-3-(benzylamino)-2,6-heptadienoate

Guidance literature:

With aluminum oxide; at 20 ℃; for 12h;

DOI:10.1016/j.tetlet.2007.06.166

upstream raw materials:

5-Hexen-2-one

carbonic acid dimethyl ester

Downstream raw materials:

3-Oxo-2-phenylselanyl-hept-6-enoic acid methyl ester

3-Oxo-hept-6-enoic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

2--2(3H)-furanylidene>acetic acid methyl ester

(Z)-3-(2-Dimethylaminomethyl-3-methoxy-phenylamino)-hepta-2,6-dienoic acid methyl ester