3-(5-Formylfuran-2-yl)-4-methylbenzoic acid

Base Information

• Chemical Name: 3-(5-Formylfuran-2-yl)-4-methylbenzoic acid
• CAS No.: 591210-45-6
• Molecular Formula: C₁₃H₁₀O₄
• Molecular Weight: 230.22
• European Community (EC) Number: 865-694-7
• Mol file: 591210-45-6.mol

Synonyms:3-(5-formylfuran-2-yl)-4-methylbenzoic acid;591210-45-6;3-(5-formyl-2-furyl)-4-methylbenzoic acid;3-(5-Formyl-furan-2-yl)-4-methyl-benzoic acid;Oprea1_204338;SCHEMBL2557304;MFCD02615099;STK321137;AKOS000286632;NCGC00329947-01;3-(5-formylfuran-2-yl)-4-methylbenzoicacid;CS-0374098;EN300-331698;AB00287192-03;SR-01000231644;SR-01000231644-1;Z2587943006;3-(5-formyl-furan-2-yl)-4-methyl-benzoic acid, AldrichCPR

Chemical Property of 3-(5-Formylfuran-2-yl)-4-methylbenzoic acid

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 230.05790880
• Heavy Atom Count: 17
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

3-(5-Formylfuran-2-yl)-4-methylbenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)C2=CC=C(O2)C=O

Technology Process of 3-(5-Formylfuran-2-yl)-4-methylbenzoic acid

There total 1 articles about 3-(5-Formylfuran-2-yl)-4-methylbenzoic acid 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:

5-formylfurane-2-boronic acid (27329-70-0) → 3-(5-formylfuran-2-yl)-4-methylbenzoic acid (591210-45-6)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate; In 1,2-dimethoxyethane; ethanol; at 50 ℃;

DOI:10.1016/j.bmcl.2009.04.132

Reference yield: 74.4%

3-(5-formylfuran-2-yl)-4-methylbenzoic acid (591210-45-6) + methyl 4-(3,5-dioxopyrazolidin-1-yl)benzoate (872496-13-4) → 3-(5-((1-(4-(methoxycarbonyl)phenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid (1353718-02-1)

Guidance literature:

With acetic acid; Reflux;

DOI:10.1039/c1ob06186k

Reference yield: 66.3%

3-(5-formylfuran-2-yl)-4-methylbenzoic acid (591210-45-6) + 7-(3-methoxyphenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one (698990-09-9) → (Z)-3-(5-((7-(3-methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid (1222377-08-3)

Guidance literature:

With piperidine; In ethanol; for 3h; Reflux;

DOI:10.1021/jm901004c

upstream raw materials:

5-formylfurane-2-boronic acid

Downstream raw materials:

C₁₇H₁₂N₂O₅S

(Z)-3-(5-((7-(3-methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid

(Z)-3-(5-((7-(4-methoxyphenyl)-9-oxo-5H-benzo[h]thiazolo[2,3-b]quinazolin-10(6H,7H,9H)-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid

3-(5-((1-(4-(methoxycarbonyl)phenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)furan-2-yl)-4-methylbenzoic acid