1-(4-Methylphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(4-Methylphenyl)prop-2-en-1-one
• CAS No.: 19832-78-1
• Molecular Formula: C10H10O
• Molecular Weight: 146.189
• DSSTox Substance ID: DTXSID20501322
• Nikkaji Number: J30.887K
• Wikidata: Q82353628
• Mol file: 19832-78-1.mol

Synonyms:19832-78-1;1-(4-Methylphenyl)prop-2-en-1-one;2-Propen-1-one, 1-(4-methylphenyl)-;1-(4-methylphenyl)-2-propen-1-one;p-tolylprop-2-en-1-one;4-methyl-1-acryloylbenzene;para-methyl phenyl vinyl ketone;SCHEMBL4903871;DTXSID20501322;1-(p-tolyl)-prop-2-en-1-one;XHCPTPNCDKFRPZ-UHFFFAOYSA-N;AKOS014914773;EN300-1248923

Chemical Property of 1-(4-Methylphenyl)prop-2-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.36370
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C=C
• Uses: Used as a reagent in the asymmetric synthesis of tetrahydropyranoindoles and tetrahydro-β-carbonlies.

Technology Process of 1-(4-Methylphenyl)prop-2-en-1-one

There total 43 articles about 1-(4-Methylphenyl)prop-2-en-1-one 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%

C13H19OSi*2CO*Fe*NO → 1-(4-methylphenyl)prop-2-en-1-one (19832-78-1)

Guidance literature:

With hydrogenchloride;

DOI:10.1246/bcsj.64.2965

Reference yield: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + para-methylacetophenone (122-00-9) → 1-(4-methylphenyl)prop-2-en-1-one (19832-78-1)

Guidance literature:

With trifluoroacetic acid; diisopropylamine 2,2,2-trifluoroacetic acid salt; In tetrahydrofuran; for 2h; Reflux;

DOI:10.1016/j.tetlet.2014.10.019

Reference yield: 94.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 1-(p-tolyl)-2-(triphenylphosphoranylidene)ethanone (1777-53-3) → 1-(4-methylphenyl)prop-2-en-1-one (19832-78-1)

Guidance literature:

In dichloromethane; Reflux; Inert atmosphere;

DOI:10.1002/asia.201000315

upstream raw materials:

Methoxyallene

4-tolyl iodide

1-(4-methylphenyl)-2-propen-1-ol

4'-methyl-3-chloropropiophenone

Downstream raw materials:

1-Phenyl-3-(p-tolyl)pyrazolin

1-(p-tolyl)-3-tosylpropan-1-one

1-(4-Methylphenyl)-3-<4-(2-acetoxyethoxy)phenyl>propan-1-one

(2E,4E)-1,6-Di-p-tolyl-hexa-2,4-diene-1,6-dione