[2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl

Base Information

• Chemical Name: [2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl
• CAS No.: 50613-98-4
• Molecular Formula: C22H42NO4
• Molecular Weight: 384.577
• DSSTox Substance ID: DTXSID80964853
• Mol file: 50613-98-4.mol

Synonyms:SCHEMBL6238743;DTXSID80964853;[2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl

Chemical Property of [2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl

Chemical Property:

• PSA: 49.77000
• LogP: 6.03290
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 385.31920885
• Heavy Atom Count: 27
• Complexity: 413

Purity/Quality:

98% ^*data from raw suppliers

10-DoxylStearicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC1(N(C(CO1)(C)C)O)CCCCCCCCC(=O)O

Technology Process of [2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl

There total 3 articles about [2-(8-Carboxyoctyl)-4,4-dimethyl-2-octyl-1,3-oxazolidin-3-yl]oxidanyl 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:

N-(2-hydroxy-1,1-dimethylethyl)-9-(3-ylooxy-4,4-dimethyl-2-octyl-1,3-oxazolidin-2-yl)nonanamide → 10-doxylstearic acid (50613-98-4,106985-48-2,95217-15-5)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 60 ℃; for 24h;

DOI:10.1081/SCC-200032488

Reference yield:

methyl 10-oxooctadecanoate (870-10-0) → 10-doxylstearic acid (50613-98-4,106985-48-2,95217-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: p-toluenesulfonic acid monohydrate / toluene / 216 h / Heating

1.2: 16.3 percent / 3-chloroperoxybenzoic acid / diethyl ether / 14 h / cooling

2.1: NaOH / dioxane / 24 h / 60 °C

With sodium hydroxide; toluene-4-sulfonic acid; In 1,4-dioxane; toluene;

DOI:10.1081/SCC-200032488

Reference yield:

→ 10-doxylstearic acid (50613-98-4,106985-48-2,95217-15-5)

Guidance literature:

Ester I, OH-;

upstream raw materials:

methyl 10-oxooctadecanoate

Refernces