1-Cyclododecen-1-YL acetate

Base Information

• Chemical Name: 1-Cyclododecen-1-YL acetate
• CAS No.: 32399-66-9
• Molecular Formula: C14H24 O2
• Molecular Weight: 224.343
• NSC Number: 339628
• DSSTox Substance ID: DTXSID70419544
• Mol file: 32399-66-9.mol

Synonyms:NSC339628;32399-66-9;SCHEMBL9333720;DTXSID70419544;1-CYCLODODECEN-1-YL ACETATE;AKOS024324102;NSC-339628

Chemical Property of 1-Cyclododecen-1-YL acetate

Chemical Property:

• Vapor Pressure: 0.000155mmHg at 25°C
• Boiling Point: 331.5°Cat760mmHg
• Flash Point: 137.2°C
• Density: 0.94g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CCCCCCCCCCC1
• Isomeric SMILES: CC(=O)O/C/1=C\CCCCCCCCCC1

Technology Process of 1-Cyclododecen-1-YL acetate

There total 1 articles about 1-Cyclododecen-1-YL acetate 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:

Isopropenyl acetate (108-22-5) + cyclododecanone (830-13-7) → Essigsaeure-(1-cyclododecenyl)ester (32399-66-9)

Guidance literature:

With toluene-4-sulfonic acid;

DOI:10.1080/08037060121425

Reference yield:

Essigsaeure-(1-cyclododecenyl)ester (32399-66-9) → 2-bromocyclododecan-1-one (31236-94-9)

Guidance literature:

With bromine; sodium acetate; In acetic acid;

Reference yield:

Essigsaeure-(1-cyclododecenyl)ester (32399-66-9) → 2-<8-Tosyl-12-(tosylamino)-4,8-diazadodecyl>-2-nitrododecanon

Guidance literature:

Multi-step reaction with 3 steps

1: Ac₂O, H₂SO₄, HNO₃, acetic acid / CCl₄ / 2 h / 0 - 10 °C

2: Ph₃P / tetrahydrofuran / 2 h / 20 °C

3: 1.7 g / NaBH₃CN / tetrahydrofuran / 0.5 h / 20 °C

With sulfuric acid; nitric acid; acetic anhydride; sodium cyanoborohydride; acetic acid; triphenylphosphine; In tetrahydrofuran; tetrachloromethane;

DOI:10.1002/hlca.19840670819

upstream raw materials:

Isopropenyl acetate

cyclododecanone

Downstream raw materials:

2-bromocyclododecan-1-one

2-nitrocyclododecanone

2-methylcyclododecanone