2-OCTYL ISOTHIOCYANATE

Base Information

• Chemical Name: 2-OCTYL ISOTHIOCYANATE
• CAS No.: 21663-52-5
• Molecular Formula: C9H17NS
• Molecular Weight: 171.30300
• Mol file: 21663-52-5.mol

Synonyms:2-Isothiocyanatooctane;1-Methyl-heptylisothiocyanat;sek. n-Octyl-senfoel;1-methyl-heptyl isothiocyanate;

Chemical Property of 2-OCTYL ISOTHIOCYANATE

Chemical Property:

• PSA: 44.45000
• LogP: 3.44810

Purity/Quality:

98%min ^*data from raw suppliers

2-Octylisothiocyanate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-OCTYL ISOTHIOCYANATE

There total 15 articles about 2-OCTYL ISOTHIOCYANATE 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: 97.0%

carbon disulfide (75-15-0,12122-00-8) + rac-2-aminooctane (44855-57-4,693-16-3) → 2-isothiocyanatooctane (21663-52-5,69626-80-8)

Guidance literature:

carbon disulfide; rac-2-aminooctane; With triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h;

With 4‐(4,6‐dimethoxy‐1,3,5‐triazin‐2‐yl)‐4‐methylmorpholinium toluene‐4‐sulfonate; In dichloromethane; at 90 ℃; for 0.05h; Microwave irradiation;

DOI:10.3390/molecules26092740

Reference yield: 90.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + ammonium thiocyanate (1147550-11-5) → 2-octyl thiocyanate (10435-90-2,10435-91-3,73522-28-8,69891-64-1) + 2-isothiocyanatooctane (21663-52-5,69626-80-8)

Guidance literature:

With bromine; triphenylphosphine; In acetonitrile; at 20 ℃;

DOI:10.1039/a906113d

Reference yield:

C9H19NS2*C6H15N → 2-isothiocyanatooctane (21663-52-5,69626-80-8)

Guidance literature:

C₉H₁₉NS₂*C₆H₁₅N; With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In dichloromethane; ethyl acetate; at 4 - 20 ℃; for 2.08333h;

With water; In dichloromethane; ethyl acetate; for 0.5h;

DOI:10.1055/s-0036-1591842

upstream raw materials:

rac-octan-2-ol

ammonium thiocyanate

rac-2-aminooctane

C₁₄H₂₁O₃P

Refernces

• 1、 Janczewski, ?ukasz,Kolesińska, Beata,Kr?giel, Dorota. "Synthesis of isothiocyanates using DMT/NMM/TsO? as a new desulfurization reagent". . . Retrieved 2021/05/29.
• 2、 Janczewski, ?ukasz,Gajda, Anna,Frankowski, Sebastian,Goszczyński, Tomasz M.,Gajda, Tadeusz. "T3P - A Benign Desulfurating Reagent in the Synthesis of Isothiocyanates". . p. 1141 - 1151. Retrieved 2017/12/06.