7097-89-4

Basic information

• Product Name: (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE
• Synonyms: Isothiocyanicacid, 2-(dimethylamino)ethyl ester (7CI,8CI);2-Dimethylaminoethylisothiocyanate
• CAS NO: 7097-89-4
• Molecular Formula: C₅H₁₀N₂S
• Molecular Weight: 130.2113
• Mol File: 7097-89-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 182.3 °C at 760 mmHg
• Flash Point: 64 °C
• Appearance: /
• Density: 0.96 g/cm³
• Vapor Pressure: 0.818mmHg at 25°C
• PKA: 8.51±0.28(Predicted)
• CAS DataBase Reference: (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE(CAS DataBase Reference)
• NIST Chemistry Reference: (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE(7097-89-4)
• EPA Substance Registry System: (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE(7097-89-4)

Safety Data

• Hazardous Substances Data: 7097-89-4(Hazardous Substances Data)

Usage

Description

(2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE is a chemical compound that consists of a dimethylamine molecule attached to an isothiocyanato-ethyl group. It is a versatile building block in organic chemistry due to its ability to react with nucleophiles to form various types of compounds.

Uses

Used in Organic Synthesis:
(2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE is used as a reagent in organic synthesis for the synthesis of various compounds. Its isothiocyanato group allows for the formation of diverse products, making it a valuable component in the creation of new chemical entities.
Used in Pharmaceutical Production:
In the pharmaceutical industry, (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE serves as a building block in the production of various drugs. Its reactivity and structural properties contribute to the development of new medicinal compounds with potential therapeutic applications.
Used in Agrochemical Production:
Similarly, in the agrochemical sector, (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE is utilized as a key component in the synthesis of crop protection agents and other agricultural products, enhancing crop yields and protection against pests.
Used in Dye Synthesis:
(2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE is also used as a reagent in the synthesis of dyes, contributing to the development of new colorants for various industries, including textiles, plastics, and printing.
Used in Biochemical and Molecular Biology Research:
In the realm of scientific research, (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE plays a role in biochemical and molecular biology studies. Its unique chemical properties make it a useful tool for investigating biological processes and interactions at the molecular level.
Overall, (2-ISOTHIOCYANATO-ETHYL)-DIMETHYL-AMINE has a wide range of applications across the chemical industry and scientific research, making it an important compound for the development of new products and advancements in various fields.

InChI:InChI=1/C5H10N2S/c1-7(2)4-3-6-5-8/h3-4H2,1-2H3/p+1

Upstream product

• 75-15-0 carbon disulfide 
• 108-00-9 N,N-dimethylethylenediamine 
• 18997-69-8 2-(N,N-dimethylamino)ethylamino dithiocarboxylic acid 
• 463-71-8 thiophosgene 

Downstream Products

• 112563-06-1 2-(2-Methoxy-phenyl)-thiazolidine-3-carbothioic acid (2-dimethylamino-ethyl)-amide; hydrochloride 
• 67749-33-1 N-[3-(2-dimethylamino-ethyl)-6,6-dimethyl-4-oxo-2-thioxo-[1,3]thiazinan-5-yl]-4-methanesulfonylamino-benzamide 
• 61607-68-9 1-[2-(dimethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione 
• 1440676-73-2 C₂₄H₃₄N₈S 

Relevant articles and documents

Synthesis method of 1-(2-dimethylaminoethyl)-5-mercaptotetrazole

The invention belongs to the technical field of medicines, and particularly relates to a synthesis method of 1-(2-dimethylaminoethyl)-5-mercaptotetrazole. The method comprises the following steps: reacting N, N-dimethylethylenediamine with thiophosgene to obtain isothiocyanate, reacting isothiocyanate with azidotrimethylsilane to obtain 1-(2-dimethylaminoethyl)-5-mercaptotetrazole hydrochloride, dissolving 1-(2-dimethylaminoethyl)-5-mercaptotetrazole hydrochloride in water, and carrying out decolorizing and crystallizing to obtain 1-(2-dimethylaminoethyl)-5-mercaptotetrazole. According to themethod, the isothiocyanate is synthesized from the N, N-dimethylethylenediamine and the thiophosgene through a one-step method, so that the synthesis process is simplified and the yield is greatly increased; non-toxic azidotrimethylsilane is used for replacing virulent sodium azide in the cyclization process, so that the safety of the process is improved, and the method is more suitable for industrial amplification.

Method for preparing isothiocyanate from ethyl chloroformate

The invention relates to a method for preparing isothiocyanate from ethyl chloroformate. The method comprises the following steps: taking a compound as shown in specification as a starting material, reacting with carbon disulfide to prepare inner salt, and then reacting the inner salt with ethyl chloroformate in an organic solvent at the temperature of 0-40 DEG C to prepare thio-mixed anhydride, wherein in the compound as shown in specification, n is 1, 2, 3, 4 or 5; and adding the mixed anhydride in an inorganic aqueous alkali, and hydrolyzing at the temperature of minus 5-30 DEG C to preparethe corresponding isothiocyanate. According to the preparation method, the mixed anhydride is synthesized at first, and then is hydrolyzed with inorganic alkali, application of organic alkali is avoided effectively, side reaction of the isothiocyanate and alcohol is relieved, and the reaction yield of the isothiocyanate and the purity of the product are improved.

Diagnostic imaging agents for alzheimer's disease: Copper radiopharmaceuticals that target aβ plaques

One of the pathological hallmarks of Alzheimer's disease is the presence of amyloid-β plaques in the brain and the major constituent of these plaques is aggregated amyloid-β peptide. New thiosemicarbazone-pyridylhydrazine based ligands that incorporate functional groups designed to bind amyloid-β plaques have been synthesized. The new ligands form stable four coordinate complexes with a positron-emitting radioactive isotope of copper, 64Cu. Two of the new CuII complexes include a functionalized styrylpyridine group and these complexes bind to amyloid-β plaques in samples of post-mortem human brain tissue. Strategies to increase brain uptake by functional group manipulation have led to a 64Cu complex that effectively crosses the blood-brain barrier in wild-type mice. The new complexes described in this manuscript provide insight into strategies to deliver metal complexes to amyloid-β plaques.