Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylate

Base Information

• Chemical Name: Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylate
• CAS No.: 893737-91-2
• Molecular Formula: C₁₅H₁₂O₄
• Molecular Weight: 256.258
• ChEMBL ID: CHEMBL3660468
• DSSTox Substance ID: DTXSID40602406
• Wikidata: Q82499456
• Mol file: 893737-91-2.mol

Synonyms:893737-91-2;Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylate;2-Formyl-4-(3-methoxycarbonylphenyl)phenol;methyl 3-(3-formyl-4-hydroxyphenyl)benzoate;SCHEMBL6640776;CHEMBL3660468;DTXSID40602406;BDBM111316;MFCD06802125;AKOS004116226;DB-417095;2-Formyl-4-(3-methoxycarbonylphenyl)phenol, 95%;US8614253, 43-76;Methyl 3'-formyl-4'-hydroxy-[1,1'-biphenyl]-3-carboxylate

Chemical Property of Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 328

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-carboxylate

There total 2 articles about Methyl 3'-formyl-4'-hydroxy[1,1'-biphenyl]-3-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: 85.9%

[3-(methoxycarbonyl)phenyl]boronic acid (99769-19-4) + 5-bromosalicyclaldehyde (1761-61-1) → methyl 3'-formyl-4'-hydroxy-[1,1'-biphenyl]-3-carboxylate (893737-91-2)

Guidance literature:

With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; caesium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 4h;

DOI:10.1002/cjoc.202000342

Reference yield:

→ methyl 3'-formyl-4'-hydroxy-[1,1'-biphenyl]-3-carboxylate (893737-91-2)

Guidance literature:

Reference yield: 86.4%

(E)-1,2,4-trifluoro-5-(2-nitrovinyl)benzene (915100-66-2) + methyl 3'-formyl-4'-hydroxy-[1,1'-biphenyl]-3-carboxylate (893737-91-2) → methyl 3-(3-nitro-2-(2,4,5-trifluorophenyl)-2H-chromen-6-yl)benzoate

Guidance literature:

In toluene; at 120 ℃; Inert atmosphere;

DOI:10.1002/cjoc.202000342

upstream raw materials:

[3-(methoxycarbonyl)phenyl]boronic acid

5-bromosalicyclaldehyde