Tert-butyl 4'-methylbiphenyl-2-carboxylate

Base Information

• Chemical Name: Tert-butyl 4'-methylbiphenyl-2-carboxylate
• CAS No.: 114772-36-0
• Molecular Formula: C18H20O2
• Molecular Weight: 268.356
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60431634
• Nikkaji Number: J1.648.438E
• Wikidata: Q72503648
• Mol file: 114772-36-0.mol

Synonyms:114772-36-0;TERT-BUTYL 4'-METHYLBIPHENYL-2-CARBOXYLATE;tert-Butyl 4'-methyl-[1,1'-biphenyl]-2-carboxylate;Tert-butyl 2-(4-methylphenyl)benzoate;tert-butyl 2-(p-tolyl)benzoate;TERT-BUTYL 4/'-METHYLBIPHENYL-2-CARBOXYLATE;SCHEMBL517;DTXSID60431634;OWEDFWZJRNPJIV-UHFFFAOYSA-N;MFCD04973964;2-t-butoxycarbonyl-4'-methylbiphenyl;AKOS015960405;t-Butyl 4'-methylbiphenyl-2-carboxylate;AC-24417;tert-butyl 4'-methyl-2-biphenylcarboxylate;CS-0451778;FT-0642790;Benzenepropanoic acid, 3-methyl-.alpha.-oxo-;2-(4-methylphenyl)benzoic acid tert-butyl ester;A803228;A1-50748;tert-Butyl 4'-methyl[1,1'-biphenyl]-2-carboxylate;4'-Methyl-2-biphenylcarboxylic acid tert-butyl ester;4'-Methyl[1,1'-biphenyl]-2-carboxylic acid, 1,1-dimethylethyl ester

Chemical Property of Tert-butyl 4'-methylbiphenyl-2-carboxylate

Chemical Property:

• Boiling Point: 388.892 °C at 760 mmHg
• Flash Point: 162.608 °C
• PSA: 26.30000
• Density: 1.038 g/cm³
• LogP: 4.61730
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 268.146329876
• Heavy Atom Count: 20
• Complexity: 321

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl4''-Methylbiphenyl-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)OC(C)(C)C

Technology Process of Tert-butyl 4'-methylbiphenyl-2-carboxylate

There total 23 articles about Tert-butyl 4'-methylbiphenyl-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: 98.0%

o-tolylbenzoic acid (7148-03-0) + isobutene (115-11-7,15220-85-6) → tert-butyl 4'-methyl-2-biphenylcarboxylate (114772-36-0)

Guidance literature:

o-tolylbenzoic acid; isobutene; With trichlorophosphate; In toluene; at 20 ℃; for 6h;

With sodium hydroxide; In water;

Reference yield: 95.0%

tert-butyl 2-bromobenzoate (55666-42-7) + 4-methylphenylboronic acid (5720-05-8) → tert-butyl 4'-methyl-2-biphenylcarboxylate (114772-36-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; toluene; for 4h; Heating;

DOI:10.1021/jm00033a006

Reference yield: 92.0%

oxalyl dichloride (79-37-8) + o-tolylbenzoic acid (7148-03-0) → tert-butyl 4'-methyl-2-biphenylcarboxylate (114772-36-0)

Guidance literature:

In diethyl ether; dichloromethane;

upstream raw materials:

tert-butyl 2-bromobenzoate

4-methylphenylboronic acid

potassium tert-butylate

4'-methylbiphenyl-2-carboxylic acid chloride

Downstream raw materials:

4'-(Aminomethyl)[1,1'-biphenyl]-2-carboxylic acid,1,1-dimethylethyl ester

4'-(1,3-Dibutyl-5-oxo-1,5-dihydro-[1,2,4]triazol-4-ylmethyl)-biphenyl-2-carboxylic acid tert-butyl ester

1-<<2'-(tert-butoxycarbonyl)biphenyl-4-yl>methyl>-2-butyl-5-(hydroxymethyl)-4-iodoimidazole

1-<<2'-(tert-butoxycarbonyl)biphenyl-4-yl>methyl>-4-methyl-2-propylimidazole-5-carboxaldehyde

Refernces

• 1、 Bergmann, Allison M.,Oldham, Adam M.,You, Wei,Brown, M. Kevin. "Copper-catalyzed cross-coupling of aryl-, primary alkyl-, and secondary alkylboranes with heteroaryl bromides". supporting information. p. 5381 - 5384. Retrieved 2018/06/01.
• 2、 -. "N-ARYLYLMETHYLINDAZOLE MODULATORS OF PPARG". Page/Page column 77; 78. . Retrieved 2013/06/06.