40532-06-7

Basic information

• Product Name: 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE
• Synonyms: 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE;2-ISOTHIOCYANATO-1,4-DIMETHOXY-BENZENE;2,5-DIMETHOXYPHENYL ISOTHIOCYANATE 98%;2,5-Dimethoxyphenyl isothiocyate, 99%
• CAS NO: 40532-06-7
• Molecular Formula: C₉H₉NO₂S
• Molecular Weight: 195.24
• EINECS: -0
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 40532-06-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 33-36 °C(lit.)
• Boiling Point: 175 °C10 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.2721 (rough estimate)
• Vapor Pressure: 0.000197mmHg at 25°C
• Refractive Index: 1.5270 (estimate)
• Sensitive: Moisture Sensitive
• BRN: 3267310
• CAS DataBase Reference: 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE(40532-06-7)
• EPA Substance Registry System: 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE(40532-06-7)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: 2810
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 40532-06-7(Hazardous Substances Data)

Usage

General Description

2,5-DIMETHOXYPHENYL ISOTHIOCYANATE, also known as verapamil isothiocyanate, is a chemical compound derived from the isothiocyanate class of organic compounds. It is a pale yellow solid that is soluble in organic solvents. 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE is known for its use in organic synthesis and pharmaceutical research, particularly in the development of potential anti-cancer agents and agrochemicals. Its unique structure and reactivity make it a valuable intermediate in the synthesis of various bioactive molecules. Additionally, 2,5-DIMETHOXYPHENYL ISOTHIOCYANATE has shown promising results in inhibiting the growth of certain cancer cells and could potentially be used in the development of novel anticancer agents. Overall, this compound has important applications in the fields of pharmaceuticals, agrichemicals, and organic synthesis.

InChI:InChI=1/C9H9NO2S/c1-11-7-3-4-9(12-2)8(5-7)10-6-13/h3-5H,1-2H3

Upstream product

• 75-15-0 carbon disulfide 
• 102-56-7 2,5-dimethoxyaniline 
• 463-71-8 thiophosgene 
• 62994-90-5 2,5-Dimethoxybenzylamin*HCl 
• 7647-01-0 hydrogenchloride 
• 708240-48-6 N,N'-bis-(2,5-dimethoxy-phenyl)-thiourea 

Downstream Products

• 708240-48-6 N,N'-bis-(2,5-dimethoxy-phenyl)-thiourea 
• 1621608-14-7 N-(2,5-dimethoxyphenyl)-2-{[4-(tricyclo[3.3.1.1^3,7]dec-1-yl)quinolin-2-yl]carbonyl}hydrazinecarbothioamide 
• 378216-66-1 N-(2,5-dimethoxyphenyl)benzo[d]thiazol-2-amine 
• 1040310-63-1 N-(2,4-dimethoxyphenyl)benzo[d]thiazol-2-amine 
• 1153638-63-1 N-(2,5-dimethoxyphenyl)-4-hydroxy-6-methyl-2H-pyran-2-one-3-carbothioamide 
• 1153638-69-7 3-[bis(2,5-dimethoxyphenylamino)methylene]-6-methyl-2H,4H-pyran-2,4-dione 
• 2834-26-6 1-Phenyl-6-(2,5-dimethoxy-phenyl)-hydrazodithiocarbonamid 
• 366-11-0 N-(2,5-dimethoxy-phenyl)-N'-(4-fluoro-phenyl)-thiourea 

Relevant articles and documents

Synthesis and antitumor activity of novel pyridazinone derivatives containing 1,3,4-thiadiazole moiety

A series of novel pyridazinone derivatives containing the 1,3,4-thiadiazole moiety were synthesized and characterized by 1H NMR, 13C NMR, spectroscopies HRMS and IR. Among them, the structure of compound 5c (2-(Tert-butyl)?4-chloro-5-((5-((2-ethylphenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One) was unambiguously confirmed via single crystal X-ray diffraction analysis. The inhibitory activity of all the target compounds against MGC-803 and Bcap-37 was determined by MTT assay, with doxorubicin (the inhibition rates were 95.5 ± 0.4% and 95.7 ± 1.0% respectively) as a control. The preliminary results showed that the inhibitory activity of compound 5n (2-(Tert-butyl)?4-chloro-5-((5-((3-fluorophenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One) was superior to the others. The inhibition rates of MGC-803 and Bcap-37 cells were 86.3 ± 2.2% and 92.3 ± 0.6% at a concentration of 10 μmol/L, respectively. The preliminary structure-activity relationship showed that when the 2-position of the benzene ring was substituted by a methyl group, such as compound 5j (2-(Tert-butyl)?4-chloro-5-((5-((2,3-dimethylphenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One), it exhibited good anticancer activity on MGC-803 cells. Besides, introducing fluorine, chlorine, or trifluoromethyl group onto the benzene ring, such as compound 5 m (2-(Tert-butyl)?4-chloro-5-((5-((4-(trifluoromethoxy)phenyl)amino)?1,3,4-thiadiazol-2-yl)thio)pyridazin-3(2H)-One), displayed good anticancer activity on MGC-803 and Bcap-37 cells.