1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

CAS NO.：61607-68-9
Empirical Formula: C5H11N5S
Molecular Weight: 173.24
MDL number: MFCD00082923
EINECS: 262-868-9
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol?

The Uses of 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

1-(2-Dimethylaminoethyl)-5-mercaptotetrazole is an impurity of?Cefotiam, a?semi-synthetic cephalosporin antibiotic.

Synthesis

2-isocyanate-N, N-dimethylethanamine (1 mmol), and sodium azide (1 mmol) were stirred with 2 ml of 2-propanol and 2 ml of water for 3 hours at a temperature of 80°C. The solvent was removed by reducing pressure after acidification using 2N HCl. The desired form of the compound, 1-(2-dimethylamino)ethyl)-1H-tetrazole-5-thiol, was obtained with a yield of 84% by purifying with silica gel column chromatography using methanol and dichloromethane as developing solvents.
1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

Properties of 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

Melting point:	215 °C (dec.)(lit.)
Boiling point:	202.6±42.0 °C(Predicted)
Density	1.36±0.1 g/cm3(Predicted)
storage temp.	-20°C Freezer, Under inert atmosphere
solubility	Methanol (Slightly), Water (Sparingly, Heated)
form	Solid
pka	8.06±0.20(Predicted)
color	White to Off-White
InChI	InChI=1S/C5H11N5S/c1-9(2)3-4-10-5(11)6-7-8-10/h3-4H2,1-2H3,(H,6,8,11)
CAS DataBase Reference	61607-68-9(CAS DataBase Reference)

Safety information for 1-[2-(Dimethylamino)ethyl]-1H-tetrazole-5-thiol

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.