4'-Methyl-biphenyl-3-carboxylic acid ethyl ester

Base Information

Chemical Name:4'-Methyl-biphenyl-3-carboxylic acid ethyl ester
CAS No.:160417-31-2
Molecular Formula:C16H16O2
Molecular Weight:240.302
Hs Code.:
DSSTox Substance ID:DTXSID10444077
Nikkaji Number:J909.881J
Wikidata:Q82262088
ChEMBL ID:CHEMBL4740138
Mol file:160417-31-2.mol

Synonyms:4'-methyl-biphenyl-3-carboxylic acid ethyl ester;160417-31-2;CHEMBL4740138;[1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-, ethyl ester;SCHEMBL5863231;DTXSID10444077;TZTGMLCLIDUPQB-UHFFFAOYSA-N;BDBM50560093;AKOS002683374;ethyl 4'-methylbiphenyl-3-carboxylate;3-(4-Methylphenyl)benzoic acid ethyl ester;Ethyl 4-methyl[1,1-biphenyl]-3-carboxylate;ethyl 4'-methyl-1,1'-biphenyl-3-carboxylate

Suppliers and Price of 4'-Methyl-biphenyl-3-carboxylic acid ethyl 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 4'-Methyl-biphenyl-3-carboxylic acid ethyl ester

Chemical Property:

XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:240.115029749
Heavy Atom Count:18
Complexity:266

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C

Technology Process of 4'-Methyl-biphenyl-3-carboxylic acid ethyl ester

There total 1 articles about 4'-Methyl-biphenyl-3-carboxylic acid ethyl 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:

: 24398-88-7
ethyl 3-bromobenzoate

: p-tolylzinc iodide-lithium chloride complex

: 2042-37-7
o-cyanobromobenzene

: 114772-53-1
2-Cyano-4'-methylbiphenyl

: 160417-31-2
ethyl 4′-methyl[1,1′-biphenyl]-3-carboxylate

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 10h; Inert atmosphere;
DOI:10.1002/chem.200902132

Reference yield: 75.0%

: 160417-31-2
ethyl 4′-methyl[1,1′-biphenyl]-3-carboxylate

: 147404-69-1
4'-methylbiphenyl-3-carboxylic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃;

Reference yield:

: 160417-31-2
ethyl 4′-methyl[1,1′-biphenyl]-3-carboxylate

: ethyl 4`-((4-(methylsulfonyl)piperazin-1-yl)methyl)biphenyl-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 4 h / Reflux

2: tetrahydrofuran / 2 h / 0 - 20 °C / Schlenk technique

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrahydrofuran; tetrachloromethane;
DOI:10.1016/j.bmc.2020.115610