Undecanophenone

Base Information

• Chemical Name: Undecanophenone
• CAS No.: 4433-30-1
• Molecular Formula: C17H26O
• Molecular Weight: 246.393
• Hs Code.: 2914399090
• European Community (EC) Number: 224-633-9
• UNII: 88F82ATS00
• DSSTox Substance ID: DTXSID70196141
• Nikkaji Number: J149.489I
• Wikidata: Q83069230
• Mol file: 4433-30-1.mol

Synonyms:Undecanophenone;n-Undecanophenone;4433-30-1;1-phenylundecan-1-one;1-Phenylundecanone;1-Undecanone, 1-phenyl-;88F82ATS00;EINECS 224-633-9;Decyl Phenyl Ketone;1-Phenyl-1-undecanone;1-phenyl-undecan-1-one;1-Phenyl-1-undecanone #;UNDECANOPHENONE 98%;SCHEMBL964590;UNII-88F82ATS00;DTXSID70196141;MFCD00051548;AKOS003238646;BS-23813;CS-0152254;U0053;D92765

Chemical Property of Undecanophenone

Chemical Property:

• Appearance/Colour: white powder or crystalline low melting mass
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 28-30 °C
• Refractive Index: 1.49
• Boiling Point: 343.8 °C at 760 mmHg
• Flash Point: 132.3 °C
• PSA: 17.07000
• Density: 0.914 g/cm³
• LogP: 5.40010
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 246.198365449
• Heavy Atom Count: 18
• Complexity: 204

Purity/Quality:

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

Undecanophenone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)C1=CC=CC=C1

Technology Process of Undecanophenone

There total 37 articles about Undecanophenone 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: 98.0%

1-phenyl-1-phenylthio-1-undecene (332077-36-8) → 1-phenylundecan-1-one (4433-30-1)

Guidance literature:

With perchloric acid; In 1,4-dioxane; for 10h; Heating;

DOI:10.1016/S0040-4020(00)01015-2

Reference yield: 97.0%

1-phenylundec-10-en-1-ol (97135-06-3) → 1-phenylundecan-1-one (4433-30-1)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; cesium acetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; at 70 ℃; for 15h; Reagent/catalyst; Catalytic behavior; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.orglett.9b04508

Reference yield: 95.0%

1-Decene (872-05-9,17438-89-0,25189-70-2) + benzaldehyde (100-52-7) → 1-phenylundecan-1-one (4433-30-1)

Guidance literature:

With 3-methylpyridin-2-ylamine; benzoic acid; Wilkinson's catalyst; at 140 ℃; for 0.5h; Irradiation;

DOI:10.1016/S0040-4039(01)00853-X

upstream raw materials:

undecanoyl chloride

benzene

benzoic acid methyl ester

1-decyne

Downstream raw materials:

1-phenylundecan-1-ol

4-Phenyl-n-tetradecanol-⁽⁴⁾

undecylbenzene

non-1-ene