Methyl 4-oxo-6-phenylhex-5-ynoate

Base Information

Chemical Name:Methyl 4-oxo-6-phenylhex-5-ynoate
CAS No.:59700-84-4
Molecular Formula:C13H12O3
Molecular Weight:216.236
Hs Code.:
DSSTox Substance ID:DTXSID20483290
Nikkaji Number:J452.083A
Wikidata:Q82320474

Synonyms:METHYL 4-OXO-6-PHENYLHEX-5-YNOATE;59700-84-4;5-Hexynoic acid, 4-oxo-6-phenyl-, methyl ester;DTXSID20483290

Suppliers and Price of Methyl 4-oxo-6-phenylhex-5-ynoate

Supply Marketing:

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

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Chemical Property of Methyl 4-oxo-6-phenylhex-5-ynoate

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:216.078644241
Heavy Atom Count:16
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)CCC(=O)C#CC1=CC=CC=C1

Technology Process of Methyl 4-oxo-6-phenylhex-5-ynoate

There total 4 articles about Methyl 4-oxo-6-phenylhex-5-ynoate 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: 49.0%

: 536-74-3
phenylacetylene

: 1490-25-1
succinic acid monomethylester chloride

: 59700-84-4
4-oxo-6-phenyl-5-hexynoic acid methyl ester

Guidance literature:: phenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1h; Inert atmosphere;

succinic acid monomethylester chloride; With boron trifluoride diethyl etherate; In tetrahydrofuran; hexane; at -90 - -78 ℃; for 2h; Inert atmosphere;
DOI:10.1021/jo401284c

Reference yield:

: 67-56-1
methanol

: 14901-29-2
4-oxo-6-phenylhex-5-ynoic acid

: 59700-84-4
4-oxo-6-phenyl-5-hexynoic acid methyl ester

Guidance literature:: methanol; 4-oxo-6-phenylhex-5-ynoic acid; With dmap; In dichloromethane; at 25 ℃; for 0.0166667h; Inert atmosphere;

With dicyclohexyl-carbodiimide; In dichloromethane; at 25 ℃; Inert atmosphere;
DOI:10.1021/acs.orglett.0c03711