7-Methylcyclopentadecane-1,5-dione

Base Information

• Chemical Name: 7-Methylcyclopentadecane-1,5-dione
• CAS No.: 77128-35-9
• Molecular Formula: C₁₆H₂₈O₂
• Molecular Weight: 252.397
• European Community (EC) Number: 278-627-6
• DSSTox Substance ID: DTXSID60998378
• Mol file: 77128-35-9.mol

Synonyms:EINECS 278-627-6;(1)-7-Methylcyclopentadecane-1,5-dione;77128-35-9;7-methylcyclopentadecane-1,5-dione;DTXSID60998378;(+-)-7-methylcyclopentadecane-1,5-dione

Chemical Property of 7-Methylcyclopentadecane-1,5-dione

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.208930132
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCCCCCCC(=O)CCCC(=O)C1

Technology Process of 7-Methylcyclopentadecane-1,5-dione

There total 9 articles about 7-Methylcyclopentadecane-1,5-dione 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:

Toluene-4-sulfonic acid 3-methyl-16-oxa-tricyclo[10.3.1.01,12]hexadec-13-yl ester (80541-76-0) → 7-methylcyclopentadecane-1,5-dione (77128-35-9)

Guidance literature:

With calcium carbonate; In 1,4-dioxane; water; for 24h; Heating;

DOI:10.1246/bcsj.54.2747

Reference yield:

3-Methyl-16-oxa-tricyclo[10.3.1.01,12]hexadecan-13-ol (77128-37-1) → 7-methylcyclopentadecane-1,5-dione (77128-35-9)

Guidance literature:

With water; calcium carbonate; In 1,4-dioxane; Yield given; Heating;

DOI:10.1016/0040-4039(80)80210-3

Reference yield:

4-(1-Nitro-2-oxocyclododec-1-yl)butanal (120269-91-2) → 7-methylcyclopentadecane-1,5-dione (77128-35-9)

Guidance literature:

Multi-step reaction with 7 steps

1: 95 percent / TsOH / benzene / 6 h / Heating

3: 1) CuI / 1) toluene, Et₂O, 2) toluene, Et₂O, -60 deg C, 15 h

4: 93 percent / TsOH, H₂O / acetone / 6 h / Heating

5: 62 percent / ethanol / 30 h / 23 °C

6: 58 percent / 10percent aq. HCl / ethanol / 20 h / Heating

7: 1) MeONa, 2) TiCl₃, NaOAc / 1) MeOH, 23 deg C, 10 min 2) aq. MeOH, 4 h

With hydrogenchloride; copper(l) iodide; titanium(III) chloride; water; sodium methylate; sodium acetate; toluene-4-sulfonic acid; In ethanol; acetone; benzene;

DOI:10.1002/hlca.19920750609

upstream raw materials:

3-Methyl-16-oxa-tricyclo[10.3.1.0^1,12]hexadecan-13-ol

Toluene-4-sulfonic acid 3-methyl-16-oxa-tricyclo[10.3.1.0^1,12]hexadec-13-yl ester

3-Methyl-12-nitrocyclopentadecanon

4-(1-Nitro-2-oxocyclododec-1-yl)butanal

Downstream raw materials:

(+/-)-Muscopyridine