Pentyl isothiocyanate
Contact usOffer Chemical Raw Material Pentyl isothiocyanate 629-12-9 In Stock
- Molecular Formula: C6H11NS
- Molecular Weight: 129.226
- Vapor Pressure: 0.649mmHg at 25°C
- Refractive Index: 1.4965
- Boiling Point: 193.4 °C at 760 mmHg
- Flash Point: 65.2 °C
- PSA： 44.45000
- Density: 0.91 g/cm3
- LogP: 2.27940
Pentyl isothiocyanate(Cas 629-12-9) Usage
InChI:InChI=1/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
629-12-9 Relevant articles
Tetrabutylammonium Iodide/I2 Mediated Convenient and Green Synthesis of Substituted Organic Isothiocyanates
Srivastava, Nitin
, p. 562 - 570 (2021/10/07)
-
A more sustainable isothiocyanate synthesis by amine catalyzed sulfurization of isocyanides with elemental sulfur
Nickisch,Conen,Gabrielsen,Meier
, p. 3134 - 3142 (2021/01/28)
Isothiocyanates (ITCs) are typically pre...
Synthesis and biological activity of diisothiocyanate-derived mercapturic acids
Grzywa, Renata,Winiarski, ?ukasz,Psurski, Mateusz,Rudnicka, Agata,Wietrzyk, Joanna,Gajda, Tadeusz,Oleksyszyn, Józef
supporting information, p. 667 - 671 (2016/01/09)
This Letter deals with new non-natural d...
Synthesis and structure-activity relationships of aliphatic isothiocyanate analogs as antibiotic agents
Li, Deguang,Shu, Yanan,Li, Pingliang,Zhang, Wenbing,Ni, Hanwen,Cao, Yongsong
, p. 3119 - 3125 (2013/07/11)
Isothiocyanates (ITCs) are one of the ma...
629-12-9 Process route
-
-
75-15-0,12122-00-8
carbon disulfide
-
-
110-58-7
n-Pentylamine
-
-
629-12-9
pentyl isothiocyanate
| Conditions | Yield |
|---|---|
|
carbon disulfide; n-Pentylamine;
With
tetra-(n-butyl)ammonium iodide;
In
dimethyl sulfoxide;
for 0.166667h;
Green chemistry;
With
iodine;
In
dimethylsulfoxide-d6;
at 20 ℃;
for 0.25h;
Green chemistry;
|
98%
|
|
carbon disulfide; n-Pentylamine;
With
triethylamine;
In
N,N-dimethyl-formamide;
at 0 ℃;
With
O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate;
In
N,N-dimethyl-formamide;
at 0 ℃;
for 0.25h;
|
85%
|
|
carbon disulfide; n-Pentylamine;
With
triethylamine;
In
ethanol;
at 20 ℃;
With
dmap; di-tert-butyl dicarbonate;
In
ethanol;
at 20 ℃;
for 0.25h;
Further stages.;
|
63%
|
|
Multistep reaction;
(i) aq. NaOH, (ii) ClCO2Et;
|
-
-
541-41-3
chloroformic acid ethyl ester
-
-
110-58-7
n-Pentylamine
-
-
629-12-9
pentyl isothiocyanate
| Conditions | Yield |
|---|---|
|
With
hydrogenchloride; carbon disulfide; triethylamine;
In
chloroform;
|
93%
|
629-12-9 Upstream products
-
463-71-8
thiophosgene
-
110-58-7
n-Pentylamine
-
75-15-0
carbon disulfide
-
646-14-0
1-nitrohexane
629-12-9 Downstream products
-
6318-96-3
1-carbamoyl-4-pentyl thiosemicarbazide
-
2834-33-5
1-Phenyl-6-pentyl-hydrazodithiocarbonamid
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