3-Cyano-4-isobutoxybenzothioaMide

3-Cyano-4-isobutoxybenzothioaMide - Names and Identifiers

Name	3-Cyano-4-isobutyloxythiobenzamide
Synonyms	Febuxostat Impurity E 3-Cyano-4-isobutoxybenzothioaMide 3-Cyano-4-isobutyloxythiobenzamide 3-Cyano-4-isobutyloxyhthiobenzamide 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide BenzenecarbothioaMide,3-cyano-4-(2-Methylpropoxy)- 163597-57-7 3-Cyano-4-(2-methylpropoxy)benzenecarbothioamide C12H14N2OS
CAS	163597-57-7
EINECS	200-258-5
InChI	InChI=1/C12H14N2OS/c1-8(2)7-15-11-4-3-9(12(14)16)5-10(11)6-13/h3-5,8H,7H2,1-2H3,(H2,14,16)

3-Cyano-4-isobutoxybenzothioaMide - Physico-chemical Properties

Molecular Formula	C12H14N2OS
Molar Mass	234.32
Density	1.18
Boling Point	396.2±52.0 °C(Predicted)
Flash Point	193.411°C
Vapor Presure	0mmHg at 25°C
pKa	12.49±0.29(Predicted)
Storage Condition	2-8°C
Refractive Index	1.593

3-Cyano-4-isobutoxybenzothioaMide - Introduction

Also known as Isocyanobutyl-4-methoxybenzenethioamide, is an organic compound. The following is an introduction to its nature, use, preparation and safety information:

Nature:
-Appearance: Colorless liquid or solid
-Molecular formula: C12H15NOS
-Molecular weight: 229.32g/mol
-Melting Point: 35-38 ℃
-Boiling point: 105-107 ℃
-Solubility: Soluble in most common organic solvents, insoluble in water.

Use:
Many uses in organic chemical synthesis, such:
-as a reaction intermediate or reagent, participate in the synthesis of other compounds;
-for the preparation of new organic acid compounds;
-For the preparation of biologically active molecules or multifunctional compounds.

Method:
The preparation method is not common, but it can be prepared by the following steps:
1. Reactant preparation: cyanobutanol, 4-methoxybenzenethiol and dimethyl stannous chloride are mixed in an appropriate proportion to prepare the reactant.
2. Reaction: The reactants are reacted in a suitable solvent, and the reaction conditions can be adjusted according to specific experiments.
3. Separation and purification: The target product with high purity is obtained by appropriate separation and purification methods (such as water/organic solvent extraction, filtration, crystallization, etc.).

Safety Information:
It is an organic matter, which contains atoms such as cyano and stannous, so you need to pay attention to safety issues during operation:
-May cause irritation to eyes, skin and respiratory tract, so wear goggles, gloves and a mask.
-avoid inhalation of gas or steam, the need to operate in a well-ventilated place.
-Avoid contact with fire sources, and avoid high temperature and open fire during storage.
-Follow chemical safety practices when using or handling the compound to avoid ingestion, aspiration, or skin contact. In case of accidental contact, please rinse with water and seek medical help.

Last Update：2024-04-10 22:29:15