Isobutyl 10-undecenoate

Base Information

• Chemical Name: Isobutyl 10-undecenoate
• CAS No.: 5421-27-2
• Molecular Formula: C15H28 O2
• Molecular Weight: 240.386
• Hs Code.: 2916190090
• European Community (EC) Number: 226-538-8
• NSC Number: 6671
• UNII: 6G584PZ24X
• DSSTox Substance ID: DTXSID0063860
• Nikkaji Number: J218.000F
• Wikidata: Q27264853
• Metabolomics Workbench ID: 45448
• Mol file: 5421-27-2.mol

Synonyms:Isobutyl 10-undecenoate;Isobutyl undecylenate;2-methylpropyl undec-10-enoate;Isobutyl undec-10-enoate;5421-27-2;10-Undecenoic acid, 2-methylpropyl ester;UNII-6G584PZ24X;6G584PZ24X;NSC 6671;NSC-6671;EINECS 226-538-8;SCHEMBL3504577;DTXSID0063860;FEMA NO. 4358;NSC6671;CHEBI:171849;10-Undecenoic acid isobutyl ester;LMFA07010914;Q27264853

Chemical Property of Isobutyl 10-undecenoate

Chemical Property:

• Vapor Pressure: 0.00137mmHg at 25°C
• Boiling Point: 297.2°Cat760mmHg
• Flash Point: 125.6°C
• PSA: 26.30000
• Density: 0.873g/cm³
• LogP: 4.49240
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 197

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)COC(=O)CCCCCCCCC=C

Technology Process of Isobutyl 10-undecenoate

There total 1 articles about Isobutyl 10-undecenoate 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: 95.0%

2-methyl-propan-1-ol (78-83-1) + 10-undecenoic acid (112-38-9) → 10-undecenoic acid isobutyl ester (5421-27-2)

Guidance literature:

In tert-butyl alcohol; Acidic conditions;

Reference yield: 82.0%

10-undecenoic acid isobutyl ester (5421-27-2) → 10-Undecen-1-ol (112-43-6)

Guidance literature:

With sodium;

Reference yield:

10-undecenoic acid isobutyl ester (5421-27-2) → 10-(fluoroethoxyphosphinyl)-N-(biotinamidopentyl)decanamide (259270-28-5)

Guidance literature:

Multi-step reaction with 8 steps

1: sodium

2: 1H-imidazole; iodine; triphenylphosphine

3: 10 h / 150 °C / Heating / reflux

4: trimethylsilyl bromide

5: ruthenium(IV) oxide; sodium periodate

6: diethylamino-sulfur trifluoride

With 1H-imidazole; ruthenium(IV) oxide; sodium periodate; trimethylsilyl bromide; diethylamino-sulfur trifluoride; iodine; sodium; triphenylphosphine; 1: Boulevenault-Blanc procedure;

upstream raw materials:

2-methyl-propan-1-ol

10-undecenoic acid

Downstream raw materials:

10-Undecen-1-ol

10-(fluoroethoxyphosphinyl)-N-(biotinamidopentyl)decanamide