2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester

Base Information

Chemical Name:2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester
CAS No.:166319-10-4
Molecular Formula:C18H14O3
Molecular Weight:278.307
Hs Code.:
DSSTox Substance ID:DTXSID20440469
Nikkaji Number:J684.088D
Wikidata:Q82256788
Mol file:166319-10-4.mol

Synonyms:166319-10-4;2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester;DTXSID20440469;4-(2-Benzylphenyl)-4-oxo-2-butynoic acid methyl ester

Suppliers and Price of 2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester

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
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price

Total 1 raw suppliers

Chemical Property of 2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:278.094294304
Heavy Atom Count:21
Complexity:434

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C#CC(=O)C1=CC=CC=C1CC2=CC=CC=C2

Technology Process of 2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, methyl ester

There total 2 articles about 2-Butynoic acid, 4-oxo-4-[2-(phenylmethyl)phenyl]-, 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: 70.0%

: 166319-20-6
methyl 4-hydroxy-4-(2-benzylphenyl)-2-butynoate

: 166319-10-4
methyl 4-oxo-4-(2-benzylphenyl)-2-butynoate

Guidance literature:: With jones reagent; In diethyl ether; at 0 ℃; for 0.333333h;
DOI:10.1021/jo00120a050

Reference yield:

: 32832-95-4
2-benzylbenzaldehyde

: 166319-10-4
methyl 4-oxo-4-(2-benzylphenyl)-2-butynoate

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / n-BuLi / tetrahydrofuran; diethyl ether / 1.) -100 deg C, 10 min, 2.) -100 deg C to room temp., 3 h

2: 70 percent / Jones reagent / diethyl ether / 0.33 h / 0 °C

With n-butyllithium; jones reagent; In tetrahydrofuran; diethyl ether;
DOI:10.1021/jo00120a050

Reference yield:

: 166319-10-4
methyl 4-oxo-4-(2-benzylphenyl)-2-butynoate

: 120934-96-5
methyl 2,5-dimethyl-4-(2-(phenylmethyl)benzoyl)-1H-pyrrole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: acetic anhydride / 3 h / 70 °C

2: 86 percent / DBU / dimethylformamide / 3 h / 100 °C

With acetic anhydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide;
DOI:10.1021/jo00120a050