96804-05-6

Basic information

• Product Name: 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE
• Synonyms: 1-Bromo-4-[(2,2-diethoxyethyl)thio]benzene;(4-bromophenyl)(2,2-diethoxyethyl)sulfane;1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE
• CAS NO: 96804-05-6
• Molecular Formula: C₁₂H₁₇BrO₂S
• Molecular Weight: 305.23
• Mol File: 96804-05-6.mol

Chemical Properties

• Boiling Point: 344.87 °C at 760 mmHg
• Flash Point: 162.372 °C
• Appearance: /
• Density: 1.33
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.558
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE(96804-05-6)
• EPA Substance Registry System: 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE(96804-05-6)

Safety Data

• Hazardous Substances Data: 96804-05-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE is used as a versatile intermediate in organic synthesis for its ability to participate in various chemical reactions, facilitating the creation of a wide array of organic compounds.
Used in Pharmaceutical Production:
In the pharmaceutical industry, 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE is used as a building block for the preparation of pharmaceuticals. Its unique structure and reactivity contribute to the development of new drugs with specific therapeutic properties.
Used in Agrochemical Production:
Similarly, in the agrochemical sector, 1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE is utilized as a key component in the synthesis of various agrochemicals, potentially enhancing crop protection and yield.
Used in the Production of Fine Chemicals:
1-BROMO-4-(2,2-DIETHOXY-ETHYLSULFANYL)-BENZENE is also employed in the fine chemicals industry, where its properties are harnessed to produce high-quality specialty chemicals used in various applications, including fragrances, dyes, and other specialty products.

InChI:InChI=1/C12H17BrO2S/c1-3-14-12(15-4-2)9-16-11-7-5-10(13)6-8-11/h5-8,12H,3-4,9H2,1-2H3

Upstream product

• 106-53-6 para-bromobenzenethiol 
• 2032-35-1 Bromoacetaldehyde diethyl acetal 
• 108-86-1 bromobenzene 
• 98-58-8 4-bromobenzenesulfonyl chloride 

Downstream Products

• 105126-89-4 (4-bromo-phenylsulfanyl)-acetaldehyde 

Relevant articles and documents

2-(phenylthio)ethylidene derivatives as anti-Trypanosoma cruzi compounds: Structural design, synthesis and antiparasitic activity

Chagas disease is an illness caused by the protozoan parasite Trypanosoma cruzi. The current chemotherapy is based on benznidazole, and, in some countries, Nifurtimox, which is effective in the acute phase of the disease, but its efficacy in the chronic p

INHIBITORS OF THE KYNURENINE PATHWAY

The present application provides novel inhibitors of indoleamine 2,3-dioxygenase-1 and/or indoleamine 2,3-dioxygenase-2 and/or tryptophan 2,3-dioxygenase, metabolites thereof, and phannaceutically acceptable salts or prodrugs thereof. Also provided are methods for preparing these compounds. A therapeutically effective amount of one or more of the compounds of formula (I) is useful in treating diseases resulting from dysregulation of the kynurenine pathway. Compounds of formula (I) act by inhibiting the enzymatic activity or expression of indoleamine 2,3-dioxygenase-1 and/or indoleamine 2,3-dioxygenase-2 and/or tryptophan 2,3-dioxygenase.

Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin

The compounds of the present invention are represented by the chemical structure found in Formula (I): wherein: the carbon atom designated * is in the R or S configuration; and X is a fused bicyclic carbocycle or heterocycle selected from the group consisting of benzofuranyl, benzo[b]thiophenyl, benzoisothiazolyl, benzoisoxazolyl, indazolyl, indolyl, isoindolyl, indolizinyl, benzoimidazolyl, benzooxazolyl, benzothiazolyl, benzotriazolyl, imidazo[1,2-a]pyridinyl, pyrazolo[1,5-a]pyridinyl, [1,2,4]triazolo[4,3-a]pyridinyl, thieno[2,3-b]pyridinyl, thieno[3,2-b]pyridinyl, 1H-pyrrolo[2,3-b]pyridinyl, indenyl, indanyl, dihydrobenzocycloheptenyl, tetrahydrobenzocycloheptenyl, dihydrobenzothiophenyl, dihydrobenzofuranyl, indolinyl, naphthyl, tetrahydronaphthyl, quinolinyl, isoquinolinyl, 4H-quinolizinyl, 9aH-quinolizinyl, quinazolinyl, cinnolinyl, phthalazinyl, quinoxalinyl, benzo[1,2,3]triazinyl, benzo[1,2,4]triazinyl, 2H-chromenyl, 4H-chromenyl, and a fused bicyclic carbocycle or fused bicyclic heterocycle optionally substituted with substituents (1 to 4 in number) as defined in R14; with R1, R2, R3, R4, R5, R6, R7, R8, and R14 defined herein.

Novel amines as histamine-3 receptor ligands and their therapeutic applications

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Electrophilic Aromatic Substitution. Part 33. Partial Rate Factors for Protiodetritiation of Benzothiophen; the Resonance-dependent Reactivity of the Ring Positions

Rate coefficients for detriation of benzothiophen, specifically labelled with tritium at each position, have been measured in anhydrous trifluoroacetic acid, and, for benzothiophen, in a range of trifluoroacetic acid-acetic acid mixtures, all at 70 deg C.The dependence of rate upon acidity is consistent with the effect of hydrogen bonding between sulphur and trifluoroacetic acid, as found previously for other sulphur-containing heterocycles.Partial rate factors, corrected for the effect of hydrogen bonding are (positions in parentheses): 8.84 * 105 (2); 1.18 * 106 (3); 360 (4); 13200 (5); 16200 (6); and 26.2 (7); the corresponding ?+ values are -0.68, -0.695, -0.29, -0.47, -0.48, and -0.16.The positional reactivity order is the same as found in pyrolysis of 1-arylethyl acetates, and solvolysis of 1-arylethyl chlorides, but the ?+ values are more negative due to the greater demand for resonance stabilization of the transition states in hydrogen exchange.Comparison of the 2- : 3-isomer ratios in various substitutions leads to the unexpected conclusion that substitution at the 2-position is subject to steric effects, probably due to the proximity of the sulphur d-orbitals.