Methyl 3-oxohex-4-enoate

Base Information

Chemical Name:Methyl 3-oxohex-4-enoate
CAS No.:37734-08-0
Molecular Formula:C7H10O3
Molecular Weight:142.155
Hs Code.:2918300090
DSSTox Substance ID:DTXSID90700946
Mol file:37734-08-0.mol

Synonyms:Methyl 3-oxohex-4-enoate;37734-08-0;methyl 3-oxo-4-hexenoate;DTXSID90700946;BBCWLSHRIURHSE-UHFFFAOYSA-N

Suppliers and Price of Methyl 3-oxohex-4-enoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Methyl 3-oxohex-4-enoate

Chemical Property:

PSA：43.37000
LogP:0.69470
XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:142.062994177
Heavy Atom Count:10
Complexity:158

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC(=O)CC(=O)OC

Technology Process of Methyl 3-oxohex-4-enoate

There total 4 articles about Methyl 3-oxohex-4-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: 70.0%

: 16695-14-0
Malonic acid monomethyl ester

: 10487-71-5
crotonyl chloride

: 37734-08-0
methyl 3-oxohex-4-enoate

Guidance literature:: Malonic acid monomethyl ester; With isopropylmagnesium bromide; In tetrahydrofuran; dichloromethane;

crotonyl chloride; In tetrahydrofuran; dichloromethane; at 20 ℃; for 0.5h; Cooling with ice;
DOI:10.1002/ejoc.201700610

Reference yield: 64.0%

: 67-56-1
methanol

: 100636-39-3
methyl 3-carbonyl-5-hexenoate

: 63364-50-1
5-Methoxy-3-oxo-hexanoic acid methyl ester

: 37734-08-0
methyl 3-oxohex-4-enoate

Guidance literature:: With boron trifluoride diethyl etherate; at 20 ℃; for 8h;
DOI:10.1055/s-2003-42472

Reference yield:

: 625-33-2
3-penten-2-one

: 17640-15-2
methyl cyanoformate

: 37734-08-0
methyl 3-oxohex-4-enoate

Guidance literature:: 3-penten-2-one; With ammonia; lithium; In diethyl ether; tert-butyl alcohol; at -78 ℃; for 0.25h; Inert atmosphere;

methyl cyanoformate; In diethyl ether; at -78 - 0 ℃; for 0.75h; regiospecific reaction; Inert atmosphere;
DOI:10.15227/orgsyn.070.0256