1-(Pentamethylphenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(Pentamethylphenyl)prop-2-en-1-one
• CAS No.: 113450-84-3
• Molecular Formula: C14H18O
• Molecular Weight: 202.296
• DSSTox Substance ID: DTXSID80550119
• Wikidata: Q82429340
• Mol file: 113450-84-3.mol

Synonyms:113450-84-3;1-(Pentamethylphenyl)prop-2-en-1-one;DTXSID80550119

Chemical Property of 1-(Pentamethylphenyl)prop-2-en-1-one

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 202.135765193
• Heavy Atom Count: 15
• Complexity: 240

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1C)C)C(=O)C=C)C)C

Technology Process of 1-(Pentamethylphenyl)prop-2-en-1-one

There total 1 articles about 1-(Pentamethylphenyl)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: 40.0%

pentamethylbenzene, (700-12-9) + acryloyl chloride (814-68-6,25189-84-8) → 2,3,4,5,6-pentamethyl-1-acryloylbenzene (113450-84-3)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1021/jo00278a011

Reference yield: 51.0%

2,3,4,5,6-pentamethyl-1-acryloylbenzene (113450-84-3) → 2-(nitromethyl)-3,4,5,6-tetramethyl-1-acryloylbenzene (113450-92-3)

Guidance literature:

With nitric acid; In acetic anhydride; at 0 - 5 ℃; for 2h;

DOI:10.1039/c39870001091

Reference yield: 51.0%

2,3,4,5,6-pentamethyl-1-acryloylbenzene (113450-84-3) → 1-nitro-2,3,4,5,6-pentamethylbenzene (13171-59-0) + 1-(2,3,4,6-Tetramethyl-5-nitromethyl-phenyl)-propenone (122567-16-2) + 2-(nitromethyl)-3,4,5,6-tetramethyl-1-acryloylbenzene (113450-92-3) + 1-(2,3,4,5-Tetramethyl-6-nitrooxymethyl-phenyl)-propenone (122567-17-3) + 1-(2,3,4,6-Tetramethyl-5-nitrooxymethyl-phenyl)-propenone

Guidance literature:

With nitric acid; acetic anhydride; at 0 ℃; for 2h; Product distribution; var. methyl-substituted alkenoylbenzenes;

DOI:10.1021/jo00278a011

upstream raw materials:

pentamethylbenzene,

acryloyl chloride

Downstream raw materials:

1-nitro-2,3,4,5,6-pentamethylbenzene

1-(2,3,4,6-Tetramethyl-5-nitromethyl-phenyl)-propenone

2-(nitromethyl)-3,4,5,6-tetramethyl-1-acryloylbenzene

1-(2,3,4,5-Tetramethyl-6-nitrooxymethyl-phenyl)-propenone

Refernces