[1,1-Biphenyl]-3-carboxaldehyde,4-hydroxy-2,6-dimethyl-(9CI)

Base Information

• Chemical Name: [1,1-Biphenyl]-3-carboxaldehyde,4-hydroxy-2,6-dimethyl-(9CI)
• CAS No.: 805250-31-1
• Molecular Formula: C15H14 O2
• Molecular Weight: 226.275
• Hs Code.: 2912491000
• Mol file: 805250-31-1.mol

Synonyms:4'-Hydroxy-2',6'-dimethylbiphenyl-3-carboxaldehyde

Chemical Property of [1,1-Biphenyl]-3-carboxaldehyde,4-hydroxy-2,6-dimethyl-(9CI)

Chemical Property:

• Boiling Point: 365.9±30.0 °C(Predicted)
• PKA: 9.93±0.36(Predicted)
• PSA: 37.30000
• Density: 1.146±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 3.48850

Purity/Quality:

≥95% ^*data from raw suppliers

4''-Hydroxy-2'',6''-dimethyl-[1,1''-biphenyl]-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of [1,1-Biphenyl]-3-carboxaldehyde,4-hydroxy-2,6-dimethyl-(9CI)

There total 2 articles about [1,1-Biphenyl]-3-carboxaldehyde,4-hydroxy-2,6-dimethyl-(9CI) 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: 97.0%

4-bromo-3,5-dimethylphenol (7463-51-6) + 3-Formylphenylboronic acid (87199-16-4) → 4’-hydroxy-2’,6’-dimethyl-3-biphenylcarbaldehyde (805250-31-1)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; toluene; at 80 ℃; for 20h; Inert atmosphere;

Reference yield: 83.0%

→ 4’-hydroxy-2’,6’-dimethyl-3-biphenylcarbaldehyde (805250-31-1)

Guidance literature:

Reference yield: 98.0%

4’-hydroxy-2’,6’-dimethyl-3-biphenylcarbaldehyde (805250-31-1) + (3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate (99314-44-0) → 2',6'-dimethyl-4'-[(3-methyloxetan-3-yl)methoxy]biphenyl-3-carbaldehyde (922151-85-7)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 80 ℃; for 70h; Inert atmosphere;

DOI:10.1021/jm300170m

upstream raw materials:

4-bromo-3,5-dimethylphenol

3-Formylphenylboronic acid

Downstream raw materials:

2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-carbaldehyde

4'-(benzyloxy)-2',6'-dimethylbiphenyl-3-carbaldehyde

methyl (6-{[4'-(benzyloxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetate

methyl (6-{[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methoxy}-2,3-dihydro-1-benzofuran-3-yl)acetate

Refernces

• 1、 -. "SULFINIC ACID COMPOUNDS AS FREE FATTY ACID RECEPTOR AGONISTS". Page/Page column 99. . Retrieved 2021/02/19.
• 2、 Li, Zheng,Ren, Qiang,Wang, Xuekun,Zhou, Zongtao,Hu, Lijun,Deng, Liming,Guan, Li,Qiu, Qianqian. "Discovery of HWL-088: A highly potent FFA1/GPR40 agonist bearing a phenoxyacetic acid scaffold". . . Retrieved 2019/09/06.