Cyclododecyne

Base Information

• Chemical Name: Cyclododecyne
• CAS No.: 1129-90-4
• Molecular Formula: C12H20
• Molecular Weight: 164.291
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID30150209
• Nikkaji Number: J125.077I
• Wikidata: Q27117279
• Metabolomics Workbench ID: 55689
• Mol file: 1129-90-4.mol

Synonyms:cyclododecyne

Chemical Property of Cyclododecyne

Chemical Property:

• Vapor Pressure: 0.0397mmHg at 25°C
• Boiling Point: 247.7°Cat760mmHg
• Flash Point: 95°C
• PSA: 0.00000
• Density: 0.85g/cm³
• LogP: 3.90440
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 164.156500638
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCCC#CCCCC1

Technology Process of Cyclododecyne

There total 1 articles about Cyclododecyne 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:

Nonafluorobutanesulfonyl fluoride (375-72-4) + [(cyclododec-1-en-1-yl)oxy](trimethyl)silane (55314-44-8,55314-46-0,51584-36-2) → (Z)-cyclododec-1-enyl nonaflate + cyclododecyne (1129-90-4) + cyclododecanone (830-13-7) + (E)-cyclododec-1-enyl nonaflate

Guidance literature:

With [(Me₂N)3S][SiMe₃F₂]; In tetrahydrofuran; dichloromethane; at 20 ℃; for 16h;

DOI:10.1002/1099-0690(200203)2002:6<1015::AID-EJOC1015>3.0.CO;2-K

Reference yield: 99.0%

cyclododecyne (1129-90-4) + C42H52O4Si → C54H72O4Si

Guidance literature:

With platinum⁽⁰⁾-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; In 5,5-dimethyl-1,3-cyclohexadiene; toluene; at 50 ℃; for 5h; Inert atmosphere;

DOI:10.1002/chem.201402996

Reference yield: 98.0%

N-benzyl-2-pyridone (1753-62-4) + cyclododecyne (1129-90-4) → C24H31NO

Guidance literature:

With 1,3-dimesityl-1,3,2-diazaphospholidine-2-oxide; bis(1,5-cyclooctadiene)nickel⁽⁰⁾; triethylaluminum; In tetrahydrofuran; at 100 ℃; for 6h; Inert atmosphere;

DOI:10.1021/acscatal.1c00750

upstream raw materials:

Nonafluorobutanesulfonyl fluoride

[(cyclododec-1-en-1-yl)oxy](trimethyl)silane

Downstream raw materials:

α,α-dichloromethyltetrahydrofuran

2-cyclotridecyn-1-one

1-[(1E)-1-ethylbut-1-en-1-yl]cyclododecene

(3E,5E)-4,5-diethylocta-3,5-diene