Tetradecyl isocyanate

Base Information

• Chemical Name: Tetradecyl isocyanate
• CAS No.: 4877-14-9
• Molecular Formula: C15H29 N O
• Molecular Weight: 239.401
• Hs Code.: 2929109000
• European Community (EC) Number: 629-404-0
• DSSTox Substance ID: DTXSID40392931
• Nikkaji Number: J1.744.249J
• Mol file: 4877-14-9.mol

Synonyms:Tetradecyl isocyanate;4877-14-9;1-isocyanatotetradecane;1-tetradecyl isocyanate;1-tetradecylisocyanate;Tetradecane, 1-isocyanato-;tetradecylisocyanat;Tetradecyl isocyanate, 97%;SCHEMBL37419;DTXSID40392931;CSMJMAQKBKGDQX-UHFFFAOYSA-N;GEO-02243;MFCD00274352;AKOS024257292;F87996

Chemical Property of Tetradecyl isocyanate

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 165-170°C1.4mmHg(lit.)
• Flash Point: 113 ºC
• PSA: 29.43000
• Density: 0.869
• LogP: 5.02330
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• Exact Mass: 239.224914549
• Heavy Atom Count: 17
• Complexity: 185

Purity/Quality:

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

Tetradecyl isocyanate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCN=C=O

Technology Process of Tetradecyl isocyanate

There total 7 articles about Tetradecyl isocyanate 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: 46.0%

carbon disulfide (75-15-0,12122-00-8) + tetradecylamine (2016-42-4) → tetradecyl isocyanate (4877-14-9)

Guidance literature:

With dihydrogen peroxide; diethylamine; In tetrahydrofuran;

DOI:10.1016/S0040-4020(01)85430-2

Reference yield:

tetradecylamine (2016-42-4) + bis(trichloromethyl) carbonate (32315-10-9) → tetradecyl isocyanate (4877-14-9)

Guidance literature:

In toluene; at 20 ℃;

DOI:10.1039/b510474b

Reference yield:

tert-butyl tetradecylcarbamate → tetradecyl isocyanate (4877-14-9)

Guidance literature:

With 2-chloropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1002/cmdc.201700050

upstream raw materials:

phosgene

tetradecylamine

carbon disulfide

palmitic acid

Downstream raw materials:

C₂₈H₄₉N₃O₃

Refernces

• 1、 Du, Xinming,Qian, Jiawen,Wang, Yujie,Zhang, Mingming,Chu, Yiwei,Li, Yingxia. "Identification and immunological evaluation of novel TLR2 agonists through structure optimization of Pam3CSK4". . p. 2784 - 2800. Retrieved 2019/05/17.
• 2、 Lian, Chang-Ming,Jiang, Li-Ping,Liu, Dong-Liang. "Synthesis and characterization of acetylated sept-d-glucopyranose carbamate as an oligosaccharide donor". . p. 134 - 136. Retrieved 2014/02/14.