trans-3-(2,5-Dimethylbenzoyl)acrylic acid

Base Information

• Chemical Name: trans-3-(2,5-Dimethylbenzoyl)acrylic acid
• CAS No.: 15254-22-5
• Molecular Formula: C12H12 O3
• Molecular Weight: 204.225
• Hs Code.: 2918300090
• European Community (EC) Number: 632-595-3
• NSC Number: 329366
• ChEMBL ID: CHEMBL1806600
• Mol file: 15254-22-5.mol

Synonyms:NSC-329366;3-(2,5-dimethylbenzoyl)-acrylic acid;2-Butenoic acid,4-(2,5-dimethylphenyl)-4-oxo-;15254-22-5;NSC329366;SCHEMBL599606;SCHEMBL599607;CHEMBL1806600;HMS1670O07;AKOS000268915;CCG-255210;trans-3-(2,5-dimethylbenzoyl)acrylic acid;2-Butenoic acid,5-dimethylphenyl)-4-oxo-, (Z)-;InChI=1/C12H12O3/c1-8-3-4-9(2)10(7-8)11(13)5-6-12(14)15/h3-7H,1-2H3,(H,14,15)/b6-5

Chemical Property of trans-3-(2,5-Dimethylbenzoyl)acrylic acid

Chemical Property:

• Melting Point: 89-90 °C
• Boiling Point: 385.9±42.0 °C(Predicted)
• PKA: 3.19±0.10(Predicted)
• PSA: 54.37000
• Density: 1.168±0.06 g/cm3(Predicted)
• LogP: 2.12690
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

3-(2,5-Dimethylbenzoyl)acrylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(=O)C=CC(=O)O
• Isomeric SMILES: CC1=CC(=C(C=C1)C)C(=O)/C=C/C(=O)O

Technology Process of trans-3-(2,5-Dimethylbenzoyl)acrylic acid

There total 2 articles about trans-3-(2,5-Dimethylbenzoyl)acrylic 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: 95.0%

maleic anhydride (108-31-6) + para-xylene (106-42-3) → (E)-4-(2,5-dimethylphenyl)-4-oxo-2-butenoic acid (15254-22-5)

Guidance literature:

maleic anhydride; para-xylene; With aluminum (III) chloride; In dichloromethane; at 20 ℃;

With hydrogenchloride; In dichloromethane; water; Cooling with ice;

DOI:10.1016/j.ejmech.2011.04.043

Reference yield:

maleic anhydride (108-31-6) + para-xylene (106-42-3) → (Z)-4-(2,5-Dimethyl-phenyl)-4-oxo-but-2-enoic acid (15254-22-5)

Guidance literature:

With aluminum (III) chloride;

DOI:10.1016/j.bmc.2009.12.042

Reference yield: 86.0%

(E)-4-(2,5-dimethylphenyl)-4-oxo-2-butenoic acid (15254-22-5) + mercaptoacetic acid (68-11-1) → 2-carboxymethylsulfanyl-4-(2,5-dimethyl-phenyl)-4-oxo-butyric acid

Guidance literature:

In methanol; at 20 ℃;

DOI:10.1021/jm0502889

upstream raw materials:

maleic anhydride

para-xylene

Downstream raw materials:

C₁₂H₁₁ClO₂

(+/-)-3.4-dimethyl-6t-(2,5-dimethyl-benzoyl)-cyclohexene-⁽³⁾-carboxylic acid-(1r)

C₁₂H₁₁ClO₂

(E)-4-(2,5-dimethylphenyl)-4-oxo-N-phenyl-2-butenamide

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 15254-22-5 trans-3-(2,5-dimethylbenzoyl)acrylic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send