Ethyl 10-(2-iodophenyl)undecanoate

Base Information

• Chemical Name: Ethyl 10-(2-iodophenyl)undecanoate
• CAS No.: 99-79-6
• Molecular Formula: C19H29 I O2
• Molecular Weight: 416.343
• Hs Code.: 2916399090
• UNII: 5153M06QEA
• DSSTox Substance ID: DTXSID0023161
• NCI Thesaurus Code: C87442
• Metabolomics Workbench ID: 43403
• Mol file: 99-79-6.mol

Synonyms:ethyl 10-(2-iodophenyl)undecanoate;Iophendylate, o-;1320-11-2;Iophendylate [USP];Iophendylate [USAN:BAN];UNII-2990I809YH;Ethyl 10-(iodophenyl)undecanoate;o-Iophendylate;Iofendylate [INN];SCHEMBL3936803;DTXSID0023161;CHEBI:169727;5153M06QEA;Ethyl 10-(p-iodophenyl)-undecanoate;2990I809YH;DB01187;Undecanoic acid, 10-(iodophenyl)-, ethyl ester;Benzenedecanoic acid, iodo-l-methyl-, ethyl ester;EN300-33416972;Benzenedecanoic acid, iodo-iota-methyl-, ethyl ester;BENZENEDECANOIC ACID, 2-IODO-.IOTA.-METHYL-, ETHYL ESTER;2517967-66-5

Chemical Property of Ethyl 10-(2-iodophenyl)undecanoate

Chemical Property:

• Vapor Pressure: 2.25E-07mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: nD25 1.5230-1.5280
• Boiling Point: 421.2°Cat760mmHg
• Flash Point: 208.5°C
• PSA: 26.30000
• Density: 1.261g/cm³
• LogP: 6.07860
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 416.12123
• Heavy Atom Count: 22
• Complexity: 293

Purity/Quality:

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

Iofendylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCCCCCCCC(C)C1=CC=CC=C1I
• Uses: Iofendylate is a compound that is used as a contrast medium.

Technology Process of Ethyl 10-(2-iodophenyl)undecanoate

There total 3 articles about Ethyl 10-(2-iodophenyl)undecanoate 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:

ethyl 10-undecenenoate (692-86-4) → iophendylate (99-79-6)

Guidance literature:

With aluminium trichloride; iodobenzene; substance of bp _1.5: 205-213 degree;

DOI:10.1021/ja01258a054

Reference yield:

→ iophendylate (99-79-6)

Guidance literature:

With iodine; iodic acid; acetic acid; substance of bp _0.5: 218-220 degree; und Behandeln des Reaktionsprodukts mit Aethanol und Schwefelsaeure;

Reference yield:

→ iophendylate (99-79-6)

Guidance literature:

entspr. Saeure, A., KU-2-Kationenaustauscher;

upstream raw materials:

ethyl 10-undecenenoate

Downstream raw materials:

10-(4-Iodo-phenyl)-undecan-1-ol