4'-Heptylacetophenone

Base Information

• Chemical Name: 4'-Heptylacetophenone
• CAS No.: 37593-03-6
• Molecular Formula: C15H22O
• Molecular Weight: 218.339
• Hs Code.: 2914399090
• European Community (EC) Number: 253-560-5
• NSC Number: 172893
• DSSTox Substance ID: DTXSID9068039
• Nikkaji Number: J30.883H
• Wikidata: Q81994739
• Mol file: 37593-03-6.mol

Synonyms:4'-Heptylacetophenone;37593-03-6;p-Heptylacetophenone;1-(4-Heptylphenyl)ethanone;4'-n-Heptylacetophenone;1-(4-Heptylphenyl)ethan-1-one;Ethanone, 1-(4-heptylphenyl)-;p-n-Heptylacetophenone;4-n-Heptylacetophenone;EINECS 253-560-5;NSC 172893;NSC172893;SCHEMBL499485;1-(4-Heptylphenyl)ethanone #;DTXSID9068039;MFCD00038342;AKOS015839902;NSC-172893;FT-0618577;H0678;D90930;A912896

Chemical Property of 4'-Heptylacetophenone

Chemical Property:

• Vapor Pressure: 0.000237mmHg at 25°C
• Refractive Index: 1.5090
• Boiling Point: 325 °C at 760 mmHg
• Flash Point: 135.8 °C
• PSA: 17.07000
• Density: 0.923 g/cm³
• LogP: 4.40210
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 218.167065321
• Heavy Atom Count: 16
• Complexity: 190

Purity/Quality:

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

4''-Heptylacetophenone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)C

Technology Process of 4'-Heptylacetophenone

There total 10 articles about 4'-Heptylacetophenone 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: 99.0%

heptylbenzene (1078-71-3) + acetyl chloride (75-36-5) → 4'-heptylacetophenone (37593-03-6)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1039/b208923h

Reference yield: 76.0%

2-(4-acetylphenyl)octanal → 4'-heptylacetophenone (37593-03-6)

Guidance literature:

With 5 mol% Pd/C; In cyclohexane; at 130 ℃; for 24h; Inert atmosphere; Molecular sieve; Sealed tube;

DOI:10.1055/s-0037-1610433

Reference yield: 70.0%

1-Iodoheptane (4282-40-0) + para-bromoacetophenone (99-90-1) → 4'-heptylacetophenone (37593-03-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); zinc; In water; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1021/ja906803t

upstream raw materials:

heptylbenzene

acetic anhydride

acetyl chloride

bromobenzene

Downstream raw materials:

1-(4-heptyl-phenyl)-ethanol

terephthalic acid

1-ethynyl-4-heptylbenzene

11-[pentakis(4-heptylphenylethynyl)phenoxy]undecan-1-ol

Refernces

• 1、 Worthington, Roberta J.,Bunders, Cynthia A.,Reed, Catherine S.,Melander, Christian. "Small molecule suppression of carbapenem resistance in ndm-1 producing klebsiella pneumoniae". supporting information; experimental part. p. 357 - 361. Retrieved 2012/07/01.
• 2、 Kouwer, Paul H. J.,Jager, Wolter F.,Mijs, Wim J.,Picken, Stephen J.. "Specific interactions in discotic liquid crystals". . p. 458 - 469. Retrieved 2007/10/03.