135895
Dimethylthiocarbamoyl chloride
97%
Synonym(s):
1-Chloro-N,N-dimethylthioformamide
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About This Item
Linear Formula:
(CH3)2NCSCl
CAS Number:
Molecular Weight:
123.60
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
240-468-5
Beilstein/REAXYS Number:
635823
MDL number:
Assay:
97%
Form:
solid
Quality Level
assay
97%
form
solid
bp
90-95 °C/0.5 mmHg (lit.)
mp
39-43 °C (lit.)
solubility
chloroform: soluble 100 mg/mL, clear to very slightly hazy, very faintly yellow
functional group
amine, chloro
storage temp.
2-8°C
SMILES string
CN(C)C(Cl)=S
InChI
1S/C3H6ClNS/c1-5(2)3(4)6/h1-2H3
InChI key
PHWISQNXPLXQRU-UHFFFAOYSA-N
Application
Dimethylthiocarbamoyl chloride was used in chemoselective deoxygenation of pyridine-N-oxides. It was used in the synthesis of (±)-thia-calanolide A. It was used as starting reagent in the synthesis of dimethylthiocarbamates.
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
208.4 °F - closed cup
flash_point_c
98 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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A synthesis of (?)-thia-calanolide A, its resolution and in vitro biological evaluation.
Chopade AU, et al. et al.
Arabian Journal of Chemistry (2012)
D K Barma et al.
Organic letters, 5(25), 4755-4757 (2003-12-05)
Dimethylthiocarbamates (DMTCs), prepared from the corresponding alcohols using commercial dimethylthiocarbamoyl chloride, are spectrally simple, achiral, and nonpolar. DMTCs are moderately to highly stable to a wide range of reagents and conditions including metal hydrides, hydroboration, ylides, NaOH, HCl, organolithiums, Grignards
Journal of Heterocyclic Chemistry, 44, 487-487 (2007)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 135895-100G | 04061838730992 |
| 135895-25G | 04061838731005 |