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10075-63-5

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10075-63-5 Usage

Chemical Properties

Class white crystal

Purification Methods

Crystallise it from EtOH, AcOH (m 178-180o) or *C6H6. Also distil it in a vacuum. [Beilstein 6 III 5266, 6 IV 6554.]

Check Digit Verification of cas no

The CAS Registry Mumber 10075-63-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,0,7 and 5 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 10075-63:
(7*1)+(6*0)+(5*0)+(4*7)+(3*5)+(2*6)+(1*3)=65
65 % 10 = 5
So 10075-63-5 is a valid CAS Registry Number.
InChI:InChI=1/C12H12O2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3

10075-63-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,5-Dimethoxynaphthalene

1.2 Other means of identification

Product number -
Other names 1,5-Dimethoxy-naphthalin

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:10075-63-5 SDS

10075-63-5Relevant articles and documents

An efficient reduction of nitro and bromine naphthalene derivatives

Dong,Zhang,Huang,Meng,Li

, p. 837 - 841 (2017)

Reduction of 1,5-dimethoxy-4-nitronaphthalene by hydrazine hydrate was optimized in the course of current study. Influence of metals, temperature and solvents upon the process was tested. Yield of the reaction was the highest in the presence of Zn powder in DMF. Moderate heating made the process slightly more efficient than that at room temperature, whereas high temperature led to a decreased yield. The current approach made it possible to exclude high pressure and diminish experimental costs.

Crystal structures, DFT calculations and Hirshfeld surface analysis of two (E)-3-(aryl)-1-(naphthalen-1-yl)prop-2-en-1-one chalcone derivatives, potential Mycobacterium tuberculosis Enoyl ACP reductase (InhA) inhibitors and optical materials: conformational differences within the prop-2-en-1-one unit

Albuquerque, Magaly Gir?o,Gon?alves, Raoni Schroeder B.,Lima, Camilo Henrique da Silva,Machado, Sérgio de Paula,Maia, Fernanda Lima de Azevedo,Oliveira, Laudicéa do Nascimento,Wardell, James L.,Wardell, Solange M. S. V.,da Silva, Talis Uelisson

, (2021)

A combined structural and computational study has been conducted on two chalcone compounds, namely (E)-3-(4-bromophenyl)-1-(4,8-dimethoxynaphthalen-1-yl)prop-2-en-1-one (1), and (E)-3-(3,4-dichlorophenyl)-1-(4,8-dimethoxynaphthalen-1-yl)prop-2-en-1-one (2). These compounds are members of a series of compounds identified from a molecular modelling study as potentially active Mycobacterium tuberculosis Enoyl ACP reductase (InhA) inhibitors. In addition, the computational study indicated that the compounds have potential as optical materials. The combined study revealed that both molecules in the solid state displayed similar overall molecular conformations between a ‘‘T’’ and a ‘‘Y’’ shape, but with different arrangements in the bridging prop-2-en-1-one unit: an anti-periplanar in 1 and a syn-periplanar in 2. The experimental and calculated bond lengths and angles for anti-periplanar 1 and syn-periplanar 2 were generally in good agreement.Theoretical calculations at the B3LYP/DGTZVP level in the gas phase, DMSO and water media indicated that for both compounds, the syn-periplanar form was the energy local minimum while the anti-periplanar form was the energy global minimum. However, the energy differences are very small, with slight variations when using the different basis sets (0.80 and 0.84 kcal/mol using the B3LYP/DGTVP theory level in gas phase, 0.28 and 0.32 in DMSO and 0.27 and 0.31 kcal/mol in water). The differences in the solid state arrangements within the bridging prop-2-en-1-one unit in 1 and 2 arise from variations in the intermolecular interactions, with halogen bonds being considered to be an important factor in stabilizing a syn-periplanar arrangement in compound 2. PLATON and Hirshfeld surface analyses confirmed the important intermolecular interactions in 1 and 2. Calculations were also carried out on the electronic and vibrational spectra, dipole moments and charge distributions of 1 and 2. The HOMO was located in the dimethoxynaphthalenyl region of the molecule with mild donor character, while the LUMO was located in the propenyl and phenyl regions of each molecule. The energy gaps between these orbitals are 3.35 eV for 1 3.25 eV for 2. The delocalization present in compounds 1 and 2 facilitates the HOMO-LUMO charge transfer process. The total electronic molecular dipolar moments (μTotal) were calculated to be 4.1511 and 5.9316 D for 1 and 2, respectively. The values of μTotal found for 1 and 2 are both larger than reported values for similar compounds, indicating that the compounds studied here should exhibit a good non-linear optical response.

An efficient synthesis of 2-formyM,4,5,8-tetramethoxynaphthalene

Wang, Rubing,Zheng, Xiaogang,Zhou, Wen,Peng, Ying,Zhu, Mengyuan,Li, Shaoshun

, p. 520 - 521 (2010)

An improved synthetic method of 2-formyl-1,4,5,8-tetramethoxynaphthalene in 73% overall yield is described. This method has several advantages compared with the reported synthesis: first, the reactant is cheaper and the yield is higher; second, the reaction condition is milder and the reagent used is more friendly to environment; third, the work-up of each step is simpler; fourth, the protocol reported is more suitable for large-scale preparation.

Regioselective Monomethylation of Unsymmetrical Naphthalenediols with Methanolic HCl

Bell, Kevin H.,McCaffery, Leslie F.

, p. 731 - 737 (1993)

Treatment of naphthalene-1,3-diol and naphthalene-1,7-diol with methanol containing dry hydrogen chloride at room temperature gives exclusively 3-methoxy-1-naphthol and 7-methoxy-1-naphthol, respectively.Of the other two unsymmetrical naphthalenediols, the 1,2-isomer was unreactive and the 1,6-isomer gave a mixture of regioisomers under the same conditions.Two symmetrical diols (the 1,5- and 2,7-isomers) examined by the same procedure gave the monomethyl ethers in 60-70percent yields.

Selective bromination of 1-bromonaphthalene: Efficient synthesis of bromonaphthalene derivatives

Cakmak, Osman,Demirtas, Ibrahim,Balaydin, Halis T

, p. 5603 - 5609 (2002)

Selective and specific preparation methods are described for 1,4-dibromonaphthalene, 1,5-dibromonaphthalene and 1,3,5-tribromonaphthalene. The reaction of 1-bromonaphthalene and naphthalene with stoichometric quantities of bromine by using a minimum amount of solvent (methylene chloride) at -30 and -50°C smoothly affords 1,4-dibromonaphthalene in 90% yield. Photobromination of 1-bromonaphthalene in CCl4 at -30°C gives 1,2,3,4,5-pentabromo-1,2,3,4-tetrahydronaphthalenes, whereas 1,5-dibromonaphthalene is obtained at reflux (77°C) in 80% yield under the same conditions. Dehydrobromination of the pentabromide by t-BuOK affords 1,3,5-tribromonaphthalene as a sole product (91%). 1,5-Dibromo- and 1,3,5-tribromonaphthalenes were efficiently converted to the corresponding methoxy naphthalene derivatives.

Toward Naphthocyclinones: Doubly Connected Octaketide Dimers with a Bicyclo[3.2.1]octadienone Core by Thiolate-Mediated Cyclization

Ando, Yoshio,Hori, Subaru,Fukazawa, Takumi,Ohmori, Ken,Suzuki, Keisuke

, p. 9650 - 9653 (2015)

A viable method is reported for the synthesis of the bicyclo[3.2.1]octadienone scaffold in naturally occurring octaketide dimers. The procedure employs a reductive cyclization reaction mediated by an unusual ethanedithiol monosodium salt. Doubling up: A viable method for the construction of bicyclo[3.2.1]octadienone scaffolds has been developed, involving the reductive cyclization of dimeric naphthoquinone monoacetal mediated by the monosodium salt of 1,2-ethanedithiol. Bicyclo[3.2.1]octadienones may serve as key core units in the synthesis of biologically relevant naphthocyclinones.

First Stereoselective Total Synthesis of a Dimeric Naphthoquinonopyrano-γ-lactone: (+)-γ-Actinorhodin

Neumeyer, Markus,Brückner, Reinhard

, p. 3383 - 3388 (2017)

We have accomplished the first total synthesis of an isomerically pure naphthoquinonopyrano-γ-lactone dimer, γ-actinorhodin, in eleven steps. Two steps exploit pairs of peri-MeO groups as unusual selectivity controls. The respective MeO groups convey the steric bulk of a bromo or iodo substituent located ortho to one MeO group as steric hindrance into the vicinity of the second MeO group. This relay effect was indispensable for exerting regiocontrol in an aromatic bromination and diastereocontrol in an oxa-Pictet–Spengler cyclization. The absolute configuration of our target compound was established in an asymmetric Sharpless dihydroxylation of a β,γ-unsaturated ester, which was synthesized in a Heck coupling of a bromoiodonaphthalene with ethyl vinylacetate. The dihydroxylation provided the γ-hydroxylactone moiety of the bromonaphthalene that was used as the substrate in the oxa-Pictet–Spengler cyclization. Dimerization to the core of γ-actinorhodin occurred by two Suzuki couplings.

New alkoxy-functionalized naphthodithiophene-based semiconducting oligomers and polymers

Huang, Chun,Hu, Yan,Zheng, Yan,Drees, Martin,Pan, Hualong,Facchetti, Antonio

, p. 796 - 816 (2014)

We report the syntheses and characterization of two bent dialkoxy-substituted naphthodithiophene (bNDT) isomers as well as of the corresponding bNDT-based small molecule and polymer semiconductors for organic field-effect transistors and organic photovoltaics. The bNDT-based building blocks exhibit improved oxidation potential and photo- and air stability versus the benzodithiophene and linear naphthodithiophene counterparts. Incorporation of the dialkoxy substituents enables film fabrication from solution and control of the molecular solid-state packing. Among these semiconductors, the polymer P1 exhibits good hole field-effect mobility of about 0.4 cm2 Vs -1 with Ion/Ioff>104 for low-temperature annealing. These results indicate that bNDT is a promising building block for optoelectronic semiconducting materials.

Development of benzochalcone derivatives as selective CYP1B1 inhibitors and anticancer agents

Dong, Jinyun,Huang, Guang,Zhang, Qijing,Wang, Zengtao,Cui, Jiahua,Wu, Yan,Meng, Qingqing,Li, Shaoshun

, p. 1606 - 1614 (2019/09/30)

A series of benzochalcone derivatives have been synthesized and evaluated for CYP1 inhibitory activity and cytotoxic properties against wild type cell lines (MCF-7 and MDA-MB-231) and drug resistant cell lines (LCC6/P-gp and MCF-7/1B1). All of these compounds were found to have selective inhibition towards CYP1B1 and the most potent two possessed single-digit nanomolar CYP1B1 potency. In addition, some of them showed promising cytotoxic activities not only against wild type cells, but also against drug resistant cells at low micromolar concentrations. More importantly, these multi-functional compounds may surmount drug-drug interactions that frequently occur during the combination of CYP1B1/P-gp inhibitors and anticancer drugs to overcome drug resistance. This study may provide a good starting point for the further development of more potent multi-functional agents with CYP1B1 inhibitory activity and cytotoxic potency in cancer prevention and treatment.

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