14005-14-2

Basic information

• Product Name: 2,2-Dimethyl-1,3-benzodioxole
• Synonyms: 1,2-(ISOPROPYLIDENEDIOXY)BENZENE;2,2-DIMETHYL-1,3-BENZODIOXOLE;2,2-Dimethyl-1,3-Benzodioxazole;2,2-DIMETHYL-1,3-BENZODIOXOLE, 98.0+%(GC);2,2-DiMethylbenzo[d][1,3]dioxole
• CAS NO: 14005-14-2
• Molecular Formula: C₉H₁₀O₂
• Molecular Weight: 150.17
• Mol File: 14005-14-2.mol
• Article Data: 29

Chemical Properties

• Melting Point: 3 °C
• Boiling Point: 182 °C
• Flash Point: 69 °C
• Appearance: /
• Density: 1.06
• Vapor Pressure: 0.89mmHg at 25°C
• Refractive Index: 1.5050-1.5090
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 2,2-Dimethyl-1,3-benzodioxole(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-Dimethyl-1,3-benzodioxole(14005-14-2)
• EPA Substance Registry System: 2,2-Dimethyl-1,3-benzodioxole(14005-14-2)

Safety Data

• Hazardous Substances Data: 14005-14-2(Hazardous Substances Data)

Usage

General Description

2,2-Dimethyl-1,3-benzodioxole is a colorless liquid chemical compound with the molecular formula C10H12O2. It is often used as a fragrance ingredient in perfumes and personal care products due to its pleasant, floral, and slightly spicy odor. It is also commonly utilized in the manufacturing of flavors and fragrances, as well as in the production of pharmaceuticals and other chemical compounds. Additionally, it is known to have antimicrobial properties, making it useful in a variety of applications. However, it should be handled with care as it can cause skin and eye irritation, and prolonged exposure may lead to adverse health effects.

InChI:InChI=1/C9H10O2/c1-9(2)10-7-5-3-4-6-8(7)11-9/h3-6H,1-2H3

Upstream product

• 120-80-9 benzene-1,2-diol 
• 77-76-9 2,2-dimethoxy-propane 
• 67-64-1 acetone 
• 4442-72-2 (2-methyl-benzo[1,3]dioxol-2-yl)-acetic acid 

Downstream Products

• 2411-83-8 methyl-2,3-dihydroxybenzoate 
• 5747-23-9 2-phenyl-1,3,2-benzodioxaborole 
• 271-97-6 benzodioxole 
• 54186-68-4 2,2-dimethyl-5-nitro-1,3-benzodioxole 
• 4812-20-8 2-Isopropoxyphenol 
• 105780-30-1 1,2-Dinitro-4-hydroxy-5-methoxybenzene 

Relevant articles and documents

Synthesis, Antiviral Activity, and Structure–Activity Relationship of 1,3-Benzodioxolyl Pyrrole-Based Entry Inhibitors Targeting the Phe43 Cavity in HIV-1 gp120

The pathway by which HIV-1 enters host cells is a prime target for novel drug discovery because of its critical role in the life cycle of HIV-1. The HIV-1 envelope glycoprotein gp120 plays an important role in initiating virus entry by targeting the primary cell receptor CD4. We explored the substitution of bulky molecular groups in region I in the NBD class of entry inhibitors. Previous attempts at bulky substituents in that region abolished antiviral activity, even though the binding site is hydrophobic. We synthesized a series of entry inhibitors containing the 1,3-benzodioxolyl moiety or its bioisostere, 2,1,3-benzothiadiazole. The introduction of the bulkier groups was well tolerated, and despite only minor improvements in antiviral activity, the selectivity index of these compounds improved significantly.

Synthesis of Catecholate Ligands with Phosphonate Anchoring Groups

New catecholate ligands containing protected phosphonate anchoring groups in the 4-position of the catecholate ring were synthesized. The catechol 4-diethoxyphosphorylbenzene-1,2-diol, (Etphoscat)H2, was prepared in three steps from pyrocatechol; whereas, the catechol 4-(diethoxyphosphorylmethyl)benzene-1,2-diol, (EtBnphoscat)H2, containing a methylene spacer between the catecholate ring and phosphonate anchor, was prepared from protocatechuic acid in six linear steps. Both catechol derivatives were further elaborated to their trimethylsilyl-protected counterparts to facilitate their binding to nanocrystalline metal oxides. Electronic spectroscopy and cyclic voltammetry were used to probe the electronic properties of the phosphonate-functionalized catecholates in charge-transfer complexes of the general formula (catecholate)Pd(pdi) (pdi = N,N′-bis(mesityl)phenanthrene-9,10-diimine). These studies show that attachment of the phosphonate anchor directly to the 4-position of the (Etphoscat)2- ligand significantly perturbs the donor ability of the catecholate ligand; however, incorporation of a single methylene spacer group in (EtBnphoscat)2- helps to isolate catecholate from the electron-withdrawing phosphonate group.

Synthesis and biological activity of 2-carbomethoxy-3-catechol-8- azabicyclo[3.2.1]octanes

Cocaine inhibits the dopamine transporter and the consequent elevation of dopamine is thought to contribute to the addictive properties of cocaine. Tropane analogues of cocaine, targeted to the dopamine transporter (DAT), are a significant focus of drug d

Templated Chromophore Assembly on Peptide Scaffolds: A Structural Evolution

The use of a template that bears pre-programmed receptor sites for selectively accommodating chromophores at given positions is an attractive approach for engineering artificial-light-harvesting systems. Indulging this line of thought, this work tackles the creation of tailored antenna architectures with yellow, red and blue chromophores, exploiting three dynamic covalent reactions simultaneously, namely disulfide exchange, acyl hydrazone, and boronic ester formations. The effect of various structural modifications, such as the chromophores as well as their spatial organization (distance, orientation, order) on the energy transfer within the antennas was studied by means of steady-state UV/Vis absorption and fluorescence spectroscopies. This systematic study allowed for a significant improvement of the energy-transfer efficiencies to a noticeable 22 and 15 % for the yellow and red donors, respectively, across the chromophores to the blue acceptor. Metadynamics simulations suggested that the conformational properties of the antennas are driven by intramolecular chromophoric stacking interactions that, upon forcing the α-helix to fold on itself, annul any effects deriving from the programming of the spatial arrangement of the receptor sides in the peptide backbone.

Class of large ring heterocyclic compound restraining HCV and manufacturing and uses thereof

The invention relates to a class of compounds that inhibit HCV. The compounds are represented by Formula A. The invention also relates to preparation and pharmaceutical use of the compounds.