8,10-Heneicosadiynoic acid

Base Information

• Chemical Name: 8,10-Heneicosadiynoic acid
• CAS No.: 174063-95-7
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.5
• Hs Code.: 2916190090
• European Community (EC) Number: 671-159-7
• DSSTox Substance ID: DTXSID50374708
• Nikkaji Number: J2.451.837J
• Wikidata: Q82163290
• Mol file: 174063-95-7.mol

Synonyms:8,10-Heneicosadiynoic acid;Henicosa-8,10-diynoic Acid;174063-95-7;8,10-Henicosadiyneoic acid;SCHEMBL415328;DTXSID50374708;8,10-HENEICOSADIYNOICACID;AKOS015910825

Chemical Property of 8,10-Heneicosadiynoic acid

Chemical Property:

• Vapor Pressure: 2.58E-10mmHg at 25°C
• Melting Point: 51 °C
• Refractive Index: 1.487
• Boiling Point: 474.6 °C at 760 mmHg
• Flash Point: 224.7 °C
• PSA: 37.30000
• Density: 0.946 g/cm³
• LogP: 5.94920
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 410

Purity/Quality:

98%Min ^*data from raw suppliers

8,10-HENEICOSADIYNOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC#CC#CCCCCCCC(=O)O

Technology Process of 8,10-Heneicosadiynoic acid

There total 1 articles about 8,10-Heneicosadiynoic acid 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: 30.0%

non-8-ynoic acid (30964-01-3) → 8,10-heneicosadiynoic acid (174063-95-7)

Guidance literature:

With copper(l) iodide; hydroxylamine hydrochloride; ethylamine; potassium hydroxide; In tetrahydrofuran; methanol; water; at 0 - 20 ℃; for 24h;

DOI:10.1002/anie.202110517

Reference yield:

8,10-heneicosadiynoic acid (174063-95-7) → C35H52N2O6

Guidance literature:

Multi-step reaction with 2 steps

1: diphenyl phosphoryl azide; triethylamine / tetrahydrofuran / 2 h / 60 °C / Darkness

2: tetrahydrofuran / 6 h / 20 °C / Darkness

With diphenyl phosphoryl azide; triethylamine; In tetrahydrofuran;

DOI:10.1021/jo501568u

upstream raw materials:

non-8-ynoic acid