4-Oxatetradecanoic acid

Base Information

• Chemical Name: 4-Oxatetradecanoic acid
• CAS No.: 7420-16-8
• Molecular Formula: C₁₃H₂₆O₃
• Molecular Weight: 230.348
• Hs Code.: 2918990090
• European Community (EC) Number: 636-130-5
• NSC Number: 666072
• DSSTox Substance ID: DTXSID00225195
• Nikkaji Number: J813.525H
• Wikidata: Q83104123
• ChEMBL ID: CHEMBL1871969
• Mol file: 7420-16-8.mol

Synonyms:2-methoxy-4-oxatetradecanoic;4-oxatetradecanoic acid

Chemical Property of 4-Oxatetradecanoic acid

Chemical Property:

• Vapor Pressure: 2.31E-05mmHg at 25°C
• Boiling Point: 335.2°C at 760 mmHg
• Flash Point: 115.4°C
• PSA: 46.53000
• Density: 0.943g/cm³
• LogP: 3.61840
• Storage Temp.: −20°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 230.18819469
• Heavy Atom Count: 16
• Complexity: 157

Purity/Quality:

98%Min ^*data from raw suppliers

4-OxatetradecanoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCOCCC(=O)O
• Uses: 4-Oxatetradecanoic acid is an analog of myristate that inhibits HIV replication.

Technology Process of 4-Oxatetradecanoic acid

There total 1 articles about 4-Oxatetradecanoic 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:

→ 3-(Decyloxy)propanoic Acid (7420-16-8)

Guidance literature:

β-n-Decoxypropionitril, konz.HCl, 1) 70-80grad, 2) 100grad;

Reference yield:

3-(Decyloxy)propanoic Acid (7420-16-8) → (2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-2-((((((R)-1-(2-ethylbutoxy)-1-oxopropan-2-yl)amino)(phenoxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl-3-(decyloxy)propanoate

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / benzene / 5 h / 25 °C

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 40 °C

With oxalyl dichloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; benzene;

DOI:10.1016/j.ejmech.2021.113862

Reference yield:

3-(Decyloxy)propanoic Acid (7420-16-8) → (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-cyano-5-((((((R)-1-(2-ethylbutoxy)-1-oxopropanyl)amino)(phenoxy)phosphoryl)oxy)methyl)-4-hydroxytetra- hydrofuran-3-yl 3-(decyloxy)propanoate

Guidance literature:

Multi-step reaction with 2 steps

1: oxalyl dichloride / benzene / 5 h / 25 °C

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 40 °C

With oxalyl dichloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; benzene;

DOI:10.1016/j.ejmech.2021.113862

Refernces

• 1、 -. "Fatty acid analogs and prodrugs". . . Retrieved 2008/06/13.