112110-44-8

Basic information

• Product Name: 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran
• Synonyms: 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran;6-bromo-4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran
• CAS NO: 112110-44-8
• Molecular Formula: C₁₁H₁₃BrS
• Molecular Weight: 257.18992
• Mol File: 112110-44-8.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 307.481°C at 760 mmHg
• Flash Point: 139.76°C
• Appearance: /
• Density: 1.351
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.583
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran(CAS DataBase Reference)
• NIST Chemistry Reference: 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran(112110-44-8)
• EPA Substance Registry System: 6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran(112110-44-8)

Safety Data

• Hazardous Substances Data: 112110-44-8(Hazardous Substances Data)

Usage

General Description

6-Bromo-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran, also known as Br-DDBT, is a chemical compound that belongs to the class of benzothiopyrans. It is an organic compound commonly used in the field of organic synthesis and medicinal chemistry. Br-DDBT is known for its potential applications in drug development as it possesses interesting pharmacological properties. It is also used as a building block for the synthesis of various pharmaceutical and agrochemical products. Additionally, Br-DDBT is utilized as a research tool in the study of benzothiopyrans and their derivatives.

InChI:InChI=1/C11H13BrS/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6H2,1-2H3

Upstream product

• 127164-82-3 1-Bromo-4-(3-methylbut-2-enylsulphanyl)benzene 
• 66165-06-8 4,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran 
• 1360916-04-6 1-bromo-4-[(3-methylbut-3-en-1-yl)sulfanyl]benzene 
• 106-53-6 para-bromobenzenethiol 
• 870-63-3 prenyl bromide 
• 108-86-1 bromobenzene 
• 78-79-5 isoprene 

Downstream Products

• 1278432-00-0 4,4-dimethyl-6-(phenylthio)thiochromane 
• 118292-40-3 tazarotene 

Relevant articles and documents

Synthesis of Bicyclo[1.1.1]pentane Bioisosteres of Internal Alkynes and para-Disubstituted Benzenes from [1.1.1]Propellane

We report a general preparation of arylated bicyclo[1.1.1]pentanes through the opening of [1.1.1]propellane with various arylmagnesium halides. After transmetalation with ZnCl2 and Negishi cross-coupling with aryl and heteroaryl halides, bis-arylated bicyclo[1.1.1]pentanes are obtained. These bis-arylated bicyclo[1.1.1]pentanes may be considered as bioisosteres of internal alkynes. Bioisosteres of tazarotene and the metabotropic glutamate receptor 5 (mGluR5) antagonist 2-methyl-6-(phenylethynyl)pyridine were prepared and their physicochemical properties were evaluated.

Br?nsted Acid-Catalyzed Regioselective Hydrothiolation of Dienes: Solvent-Controlled Divergent Synthesis of Sulfides

A Br?nsted acid-catalyzed 1,4-addition hydrothiolation of branched 1,3-dienes was explored for the first time. A solvent-controlled divergent synthesis of sulfides is also disclosed. Use of acetonitrile as a solvent gave allylic sulfides as hydrothiolation products, while thiochromane derivatives (hydrothiolation/Friedel-Crafts products) were obtained using dichloromethane as the solvent. The origin of the regioselectivity of hydrothiolation was explored through density functional theory calculations.

SPIROXAZOLIDINONE COMPOUNDS

Substituted spirocyclic amines of structural formula (I) are selective antagonists of the somatostatin subtype receptor 5 (SSTR5) and are useful for the treatment, control or prevention of disorders responsive to antagonism of SSTR5, such as Type 2 diabetes, insulin resistance, lipid disorders, obesity, atherosclerosis, Metabolic Syndrome, depression, and anxiety.