2-(3-Hydroxypropyl)cyclododecanone

Base Information

• Chemical Name: 2-(3-Hydroxypropyl)cyclododecanone
• CAS No.: 32539-82-5
• Molecular Formula: C15H28O2
• Molecular Weight: 240.386
• European Community (EC) Number: 629-935-8
• DSSTox Substance ID: DTXSID60436048
• Mol file: 32539-82-5.mol

Synonyms:2-(3-hydroxypropyl)cyclododecanone;32539-82-5;EC 629-935-8;SCHEMBL3817854;DTXSID60436048;WPUUQDHXECKYPM-UHFFFAOYSA-N;2-(3-hydroxypropyl)-1-cyclododecanone;2-(3-hydroxy-prop-1-yl)-cyclododecanone

Chemical Property of 2-(3-Hydroxypropyl)cyclododecanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 240.208930132
• Heavy Atom Count: 17
• Complexity: 201

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCCCC(=O)C(CCCC1)CCCO

Technology Process of 2-(3-Hydroxypropyl)cyclododecanone

There total 1 articles about 2-(3-Hydroxypropyl)cyclododecanone 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:

cyclododecanone (830-13-7) + allyl alcohol (107-18-6) → 3,4,6,7,8,9,10,11,12,13,14,15-Dodecahydro-2H-cyclododecapyran (32539-83-6) + 2-(3-hydroxy-prop-1-yl)-cyclododecanone (32539-82-5)

Guidance literature:

With diphenyldisulfane; at 140 ℃; for 6h; Temperature; Irradiation;

Reference yield:

2-(3-hydroxy-prop-1-yl)-cyclododecanone (32539-82-5) → 3,4,6,7,8,9,10,11,12,13,14,15-Dodecahydro-2H-cyclododecapyran (32539-83-6)

Guidance literature:

With toluene-4-sulfonic acid; Heating;

DOI:10.1007/BF00699833

Reference yield:

2-(3-hydroxy-prop-1-yl)-cyclododecanone (32539-82-5) → pentadecanolide (106-02-5,81031-90-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 95 g / p-toluenesulfonic acid / 1 h / 115 °C / 40 Torr

2.1: 85 percent / H₂O₂; H₂SO₄ / acetic acid; H₂O / 0.75 h / 0 °C

3.1: Cu(OAc)2 / various solvent(s) / 4 h / 102 - 106 °C

3.2: 17.3 g / H₂ / Pd/Al₂O₃ / propan-2-ol / 8 h / 85 °C / 76000 Torr

With copper diacetate; sulfuric acid; dihydrogen peroxide; toluene-4-sulfonic acid; In water; acetic acid; 1.1: Cyclization / 2.1: Oxidation / 3.1: Isomerization / 3.2: Catalytic hydrogenation;

DOI:10.1007/BF02503491

upstream raw materials:

cyclododecanone

allyl alcohol

Downstream raw materials:

2-(3-p-toluene-sulfonyloxy-prop-1-yl)-cyclododecanone

3,4,6,7,8,9,10,11,12,13,14,15-Dodecahydro-2H-cyclododecapyran

pentadecanolide

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