Tetrabutylammonium cyanate

Base Information

• Chemical Name: Tetrabutylammonium cyanate
• CAS No.: 39139-87-2
• Molecular Formula: C17H36N2O
• Molecular Weight: 284.486
• Hs Code.: 2929909090
• European Community (EC) Number: 254-315-5
• DSSTox Substance ID: DTXSID30192386
• ChEMBL ID: CHEMBL1078152
• Mol file: 39139-87-2.mol

Synonyms:Tetrabutylammonium cyanate;39139-87-2;tetrabutylazanium;isocyanate;EINECS 254-315-5;tetrabutylammonium isocyanate;C16H36N.CNO;SCHEMBL755705;SCHEMBL757473;CHEMBL1078152;DTXSID30192386;PEFQHPVDKJBRFF-UHFFFAOYSA-M;C16-H36-N.C-N-O;AKOS025404819;FT-0752506

Chemical Property of Tetrabutylammonium cyanate

Chemical Property:

• Melting Point: 86-88 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 46.85000
• Density: g/cm³
• LogP: 4.90158
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 284.282763776
• Heavy Atom Count: 20
• Complexity: 144

Purity/Quality:

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

Tetrabutylammonium cyanate technical ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(=[N-])=O

Technology Process of Tetrabutylammonium cyanate

There total 1 articles about Tetrabutylammonium cyanate 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:

tetra-(n-butyl)ammonium iodide (311-28-4) → tetrabutylammonium isocyanate (39139-87-2)

Guidance literature:

With Amberlite IRA 400; In methanol; Yield given;

Reference yield: 98.0%

2-(4-methoxy-benzyloxy)-tetrahydro-pyran (18494-82-1) + tetrabutylammonium isocyanate (39139-87-2) → 4-methoxybenzyl isocyanate (56651-60-6)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 5h; Reflux;

DOI:10.1080/10426500802508212

Reference yield: 98.0%

tetrabutylammonium isocyanate (39139-87-2) + benzyl alcohol (100-51-6,185532-71-2) → benzyl isothiocyanate (3173-56-6)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃;

DOI:10.1055/s-2005-869906

upstream raw materials:

tetra-(n-butyl)ammonium iodide

Downstream raw materials:

C₁₆H₃₆N⁽¹⁺⁾*C₁₅H₈Cl₂N₃O₃^(1-)

C₁₆H₃₆N⁽¹⁺⁾*C₁₅H₁₀N₃O₃^(1-)

C₁₇H₁₄N₃O₃^(1-)*C₁₆H₃₆N⁽¹⁺⁾

Cyclohexyl isocyanate

Refernces