4-Carboxychalcone

Base Information

• Chemical Name: 4-Carboxychalcone
• CAS No.: 20118-38-1
• Molecular Formula: C16H12O3
• Molecular Weight: 252.269
• DSSTox Substance ID: DTXSID90398448
• Mol file: 20118-38-1.mol

Synonyms:4-carboxychalcone;chalcone-4-carboxylic;4-carboxybenzalacetophenone;20118-38-1;DTXSID90398448;BFLGEZGYYCQWRT-UHFFFAOYSA-N;4-(3-oxo-3-phenylpropenyl)-benzoic acid;4-(3-Oxo-3-phenyl-propenyl)-benzoic acid;3-(4-Carboxyphenyl)-1-phenyl-2-propen-1-one

Chemical Property of 4-Carboxychalcone

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 252.078644241
• Heavy Atom Count: 19
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O

Technology Process of 4-Carboxychalcone

There total 8 articles about 4-Carboxychalcone 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: 95.0%

(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one (22966-09-2) + potassium formate (590-29-4) → 4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]benzoic acid (20118-38-1)

Guidance literature:

With [PhCOPd(PtBu₃)I]; dtbpf; In 2-methyltetrahydrofuran; at 80 ℃; for 18h; Inert atmosphere;

DOI:10.1021/ja3114032

Reference yield: 92.0%

4-Carboxybenzaldehyde (619-66-9) + acetophenone (98-86-2) → 4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]benzoic acid (20118-38-1)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1155/2018/1245712

Reference yield: 86.0%

4-Carboxybenzaldehyde (619-66-9) + acetophenone (98-86-2) → chalcone-4-carboxylic acid (20118-38-1)

Guidance literature:

4-Carboxybenzaldehyde; acetophenone; With sodium hydroxide; In methanol; water; at 20 ℃; for 16h;

With hydrogenchloride; In methanol; water;

upstream raw materials:

4-Carboxybenzaldehyde

acetophenone

benzoic acid

methyl 4-formylbenzoate

Downstream raw materials:

4-(3-phenyl-propyl)-benzoic acid

4-(3-oxo-3-phenylpropyl)benzoic acid

C₂₁H₁₆O₅

C₁₈H₁₆O₄