Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate

Base Information

Chemical Name:Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
CAS No.:77548-30-2
Molecular Formula:C16H18O3
Molecular Weight:258.317
Hs Code.:
ChEMBL ID:CHEMBL572786
DSSTox Substance ID:DTXSID60504519

Synonyms:77548-30-2;CHEMBL572786;DTXSID60504519;Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate;3-methyl-6-carbethoxy-5-phenylcyclohex-2-enone

Suppliers and Price of Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate

Supply Marketing:

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

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Chemical Property of Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:258.125594432
Heavy Atom Count:19
Complexity:378

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1C(CC(=CC1=O)C)C2=CC=CC=C2

Technology Process of Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate

There total 6 articles about Ethyl 5-methyl-3-oxo-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate 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: 60.0%

: 141-97-9
ethyl acetoacetate

: 122-57-6
1-Phenylbut-1-en-3-one

: 77548-30-2
4-methyl-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid ethyl ester

Guidance literature:: ethyl acetoacetate; With sodium ethanolate; In ethanol; at 20 ℃; for 1h;

1-Phenylbut-1-en-3-one; In ethanol; for 3h; Reflux;
DOI:10.1016/j.ejmech.2009.07.013

Reference yield: 30.0%

: 1165-06-6
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

: 77548-30-2
4-methyl-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid ethyl ester

: 5337-88-2
3-methyl-5-phenyl-2-cyclohexen-1-one

Guidance literature:: With hydrogenchloride; In ethanol; for 14h; Heating;
DOI:10.1007/BF00475377

Reference yield:

: 3274-34-8
1,2,6-trimethyl-4-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester

: 77548-30-2
4-methyl-2-oxo-6-phenyl-cyclohex-3-enecarboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 12 percent / HCl / aq. ethanol / 2 h / Heating

2: 30 percent / HCl / aq. ethanol / 14 h / Heating

With hydrogenchloride; In ethanol;
DOI:10.1007/BF00475377