11-Heneicosanone

Base Information

• Chemical Name: 11-Heneicosanone
• CAS No.: 19781-72-7
• Molecular Formula: C21H42 O
• Molecular Weight: 310.564
• Hs Code.: 2914190090
• European Community (EC) Number: 243-307-7
• NSC Number: 93984
• DSSTox Substance ID: DTXSID80173488
• Nikkaji Number: J104.243B
• Wikidata: Q83043557
• Mol file: 19781-72-7.mol

Synonyms:11-HENEICOSANONE;Henicosan-11-one;19781-72-7;di-n-Decyl ketone;Didecyl ketone;EINECS 243-307-7;11-Henicosanone;NSC93984;11-Henicosanone #;SCHEMBL2125019;C21H42O;DTXSID80173488;C21-H42-O;MFCD00048410;NSC 93984;NSC-93984;STL386382;AKOS024319158;AS-56764;CS-0318340;FT-0607218;H0532;D78399

Chemical Property of 11-Heneicosanone

Chemical Property:

• Vapor Pressure: 6.28E-06mmHg at 25°C
• Melting Point: 64°C
• Boiling Point: 378.5°Cat760mmHg
• Flash Point: 77.6°C
• PSA: 17.07000
• Density: 0.834g/cm³
• LogP: 7.61710
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly)
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 310.323565959
• Heavy Atom Count: 22
• Complexity: 200

Purity/Quality:

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

11-Heneicosanone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)CCCCCCCCCC

Technology Process of 11-Heneicosanone

There total 28 articles about 11-Heneicosanone 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: 85.0%

1-decyl-1-undecanol (3381-26-8) → heneicosan-11-one (19781-72-7)

Guidance literature:

With sodium dichromate; sulfuric acid; In water; at 25 ℃; Inert atmosphere;

DOI:10.1002/cplu.201900593

Reference yield: 80.0%

chloroform (67-66-3,8013-54-5) + 1-Decene (872-05-9,17438-89-0,25189-70-2) → heneicosan-11-one (19781-72-7)

Guidance literature:

With sodium hydroxide; chloroform; water; dihydrogen peroxide; sodium methylate; sodium borohydride acetate; 1) THF, 1h at r.t, 2h at 50 deg C, 2) 2.5h, 50 deg C, 3) r.t; method for preparation of dialkylketone from alkene;

DOI:10.1016/S0040-4039(01)84599-8

Reference yield: 72.0%

n-decyl magnesium bromide (17049-50-2) + 1,1'-carbonyldiimidazole (530-62-1) → tri-n-decylcarbinol (2758-57-8) + heneicosan-11-one (19781-72-7)

Guidance literature:

In tetrahydrofuran; at -80 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1216815

upstream raw materials:

Iododecane

undecylenic acid

ethyl undecanoate

sodium ethanolate

Downstream raw materials:

heneicosane

1-decyl-1-undecanol

10-Phenylselanyl-henicosan-11-one

non-1-ene