4-(4-METHYLPHENYL)-3-BUTEN-2-ONE 97

Base Information

• Chemical Name: 4-(4-METHYLPHENYL)-3-BUTEN-2-ONE 97
• CAS No.: 3160-38-1
• Molecular Formula: C11H12 O
• Molecular Weight: 160.216
• Hs Code.: 2914399090
• Mol file: 3160-38-1.mol

Synonyms:3-Buten-2-one,4-p-tolyl- (6CI,7CI,8CI); (4-Methylbenzylidene)acetone;4-(4-Methylphenyl)-3-buten-2-one; 4-(p-Methylphenyl)-3-buten-2-one;4-Methylbenzalacetone; 4-p-Tolyl-3-buten-2-one; 4'-Methylbenzylideneacetone;NSC 636784; p-Methylbenzalacetone; p-Methylbenzylideneacetone;p-Tolylideneacetone

Chemical Property of 4-(4-METHYLPHENYL)-3-BUTEN-2-ONE 97

Chemical Property:

• Vapor Pressure: 0.00375mmHg at 25°C
• Melting Point: 29-33 °C(lit.)
• Boiling Point: 280.6°Cat760mmHg
• Flash Point: 101.3°C
• PSA: 17.07000
• Density: 0.999g/cm³
• LogP: 2.59720
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 160.088815002
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(p-Tolyl)-3-buten-2-one (predominantly trans), 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-(4-METHYLPHENYL)-3-BUTEN-2-ONE 97

There total 60 articles about 4-(4-METHYLPHENYL)-3-BUTEN-2-ONE 97 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: 100.0%

4-methyl-benzaldehyde (104-87-0) + acetone (67-64-1) → (E)-4-p-tolylbut-3-en-2-one (3160-38-1)

Guidance literature:

With sodium hydroxide; at 0 - 20 ℃;

DOI:10.1055/s-0031-1290448

Reference yield: 93.0%

4-tolyl iodide (624-31-7) + methyl vinyl ketone (78-94-4,25038-87-3) → (E)-4-p-tolylbut-3-en-2-one (3160-38-1)

Guidance literature:

With sodium acetate; 1H-tetrazole; palladium; In N,N-dimethyl-formamide; at 100 ℃; for 12h;

DOI:10.1016/j.tetlet.2004.03.162

Reference yield: 91.0%

4-methyl-benzaldehyde (104-87-0) + acetone (67-64-1) → 4-(p-tolyl)-3-buten-2-one (4023-84-1,3160-38-1)

Guidance literature:

With PEG-400; potassium carbonate; at 90 ℃; for 1.5h;

DOI:10.1081/SCC-200054198

upstream raw materials:

4-methyl-benzaldehyde

acetone

2-<4-Methyl-benzyliden>-acetessigsaeure-tert.-butylester

propargyl bromide

Downstream raw materials:

bis(4-methylstyryl)ketone

(2E,4E)-3-Methyl-5-p-tolyl-penta-2,4-dienoic acid ethyl ester

(2Z,4E)-3-Methyl-5-p-tolyl-penta-2,4-dienoic acid ethyl ester

7-Methyl-2-thioxo-5-p-tolyl-1,2,3,5-tetrahydro-pyrano[2,3-d]pyrimidin-4-one

Refernces

• 1、 Kane, Sanjeev R.,Modi, Chetan K.,Patel, Dikin,Srivastava, Himanshu,Trivedi, Komal A.. "Green sustainable approach for carbon–carbon bond-forming reactions using FeNPs/DETA@rGO nano-catalyst". . . Retrieved 2022/01/11.
• 2、 Lu, Dongpo,Lu, Peng,Lu, Zhan. "Cobalt-Catalyzed Asymmetric 1,4-Reduction of β,β-Dialkyl α,β-Unsaturated Esters with PMHS". supporting information. p. 4861 - 4864. Retrieved 2021/09/22.