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3,3'-Dimethoxybenzil, a benzyl derivative, is a compound that has been studied for its structured thermal diffuse scattering properties. It is characterized by the presence of two methoxy groups attached to the benzene ring, which contributes to its unique chemical and physical properties.

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  • 40101-17-5 Structure
  • Basic information

    1. Product Name: 3,3'-DIMETHOXYBENZIL
    2. Synonyms: 1,2-Bis(3-methoxyphenyl)-1,2-ethanedione;1,2-Bis-(3-methoxy-phenyl)-ethan-1,2-dion;1,2-Bis-(3-methoxy-phenyl)-ethan-1,2-dione;Ethanedione, bis(3-methoxyphenyl)-;3,3'-DIMETHOXYBENZIL;3,3-Dimethoxydibenzoyl;bis(3-methoxyphenyl)ethanedione;3,3''-DIMETHOXYBENZIL, 99+%
    3. CAS NO:40101-17-5
    4. Molecular Formula: C16H14O4
    5. Molecular Weight: 270.28
    6. EINECS: 254-793-5
    7. Product Categories: C15 to C38;Carbonyl Compounds;Ketones
    8. Mol File: 40101-17-5.mol
  • Chemical Properties

    1. Melting Point: 82-84 °C(lit.)
    2. Boiling Point: 442.2 °C at 760 mmHg
    3. Flash Point: 197.5 °C
    4. Appearance: /
    5. Density: 1.183 g/cm3
    6. Vapor Pressure: 5.13E-08mmHg at 25°C
    7. Refractive Index: 1.566
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. Water Solubility: Insoluble in water.
    11. BRN: 2382124
    12. CAS DataBase Reference: 3,3'-DIMETHOXYBENZIL(CAS DataBase Reference)
    13. NIST Chemistry Reference: 3,3'-DIMETHOXYBENZIL(40101-17-5)
    14. EPA Substance Registry System: 3,3'-DIMETHOXYBENZIL(40101-17-5)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-37/39
    4. WGK Germany: 3
    5. RTECS:
    6. TSCA: Yes
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 40101-17-5(Hazardous Substances Data)

40101-17-5 Usage

Uses

Used in Chemical Synthesis:
3,3'-Dimethoxybenzil is used as an intermediate in organic synthesis, particularly for the preparation of benzil derivatives. Its unique structure allows it to serve as a valuable building block for the creation of various complex organic compounds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,3'-Dimethoxybenzil is utilized as an intermediate in the synthesis of various drugs. Its versatile chemical structure makes it a useful component in the development of new medications, potentially contributing to the treatment of various medical conditions.
Used in Research and Development:
3,3'-Dimethoxybenzil is also employed in research and development settings, where its structured thermal diffuse scattering properties are of interest. 3,3'-DIMETHOXYBENZIL can be used to study and understand the behavior of similar compounds, potentially leading to advancements in material science and related fields.

Check Digit Verification of cas no

The CAS Registry Mumber 40101-17-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,1,0 and 1 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 40101-17:
(7*4)+(6*0)+(5*1)+(4*0)+(3*1)+(2*1)+(1*7)=45
45 % 10 = 5
So 40101-17-5 is a valid CAS Registry Number.
InChI:InChI=1/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3

40101-17-5 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
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  • Detail
  • Alfa Aesar

  • (L11564)  3,3'-Dimethoxybenzil, 99+%   

  • 40101-17-5

  • 1g

  • 304.0CNY

  • Detail
  • Alfa Aesar

  • (L11564)  3,3'-Dimethoxybenzil, 99+%   

  • 40101-17-5

  • 5g

  • 1009.0CNY

  • Detail

40101-17-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3,3'-DIMETHOXYBENZIL

1.2 Other means of identification

Product number -
Other names 1,2-Bis(3-methoxyphenyl)ethane-1,2-dione

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:40101-17-5 SDS

40101-17-5Relevant articles and documents

Multi-functional Co3O4 embedded carbon nanotube architecture for oxygen evolution reaction and benzoin oxidation

Bathula, Chinna,Hwang, Jung-Hoon,Kadam, Abhijit,Kim, Hyun-Seok,Lee, Sang-Hoon,Sekar, Sankar,Talha Aqueel Ahmed, Abu

, (2021/10/01)

Multifunctional hybrid nanostructures continue to attract great attention since they offer multiple applications from specific architectures. This paper proposes a simple solid-state protocol to fabricate nitrogen doped carbon nanotubes (CNT) and cobalt oxide embedded with CNT (Co3O4-CNT) for oxygen evolution reaction and benzoin oxidation. The proximity between cobalt and CNT sites amplifies oxygen evolution reaction (OER) and conductivity. Embedded Co3O4-CNT form an integrated architecture, providing efficient and rapid electron/ion transfer rate. Fabricated Co3O4-CNT electrocatalyst exhibited OER activity of 317 mV, which was better than that of pristine Co3O4 electrocatalyst (340 mV) at 10 mA cm?2 current density. Impressively, Co3O4-CNT delivers stable response at low and high currents as well as excellent durability over 25 h. Experimental and analytical results verified that maximal electrocatalytic OER activity can be realized by combining a conductive CNT network and catalytically active sites could be further enhanced by nitrogen doping. Additionally, the Co3O4 embedded with CNT upon exploration as a milder, inexpensive, and eco-friendlier catalyst for air oxidation of 2-hydroxy-1,2-bis(3-methoxyphenyl)ethan-1-one (benzoin), produces 3,3′-dimethoxybenzil in high yield (96%). The Co3O4-CNT was further evaluated the catalytic activities after repetitive recycling processes and demonstrated the high yields without the significant loss in the catalytic activity.

UROLITHIN A AND DERIVATIVES THEREOF FOR USE IN THERAPY

-

Paragraph 00387-00394, (2019/12/04)

In some embodiments of the invention, inventive compounds (e.g., Formula (I), (IA), (II), and (III), and urolithin derivatives) are disclosed. Other embodiments include compositions (e.g., pharmaceutical compositions) comprising the inventive compound. Still other embodiments of the invention include compositions (e.g., pharmaceutical compositions) for treating, for example, certain diseases using the inventive compounds. Some embodiments include methods of using the inventive compound (e.g., in compositions or in pharmaceutical compositions) for administering and treating (e.g., diseases). Further embodiments include methods for making the inventive compounds. Additional embodiments of the invention are also discussed herein.

Ring Closing Metathesis Approach for the Synthesis of o-Terphenyl Derivatives

Karmakar, Shilpi,Mandal, Tirtha,Dash, Jyotirmayee

, p. 5916 - 5924 (2019/08/21)

A linear synthesis of o-terphenyl derivatives has been delineated using ring closing metathesis (RCM) as the key step. In this approach, benzil derivatives upon allyl Grignard addition provides diphenyl-1,2-diallyl dihydroxy derivatives which undergo ring closing metathesis to afford tetrahydro terphenyl derivatives. Aromatization-driven dehydration then leads to a diverse set of electron rich and electron deficient o-terphenyls. Furthermore, oxidative coupling of electron rich o-terphenyls provides the corresponding triphenylene derivatives.

Magnetic magnetite nanoparticals catalyzed selective oxidation of Α-hydroxy ketones with air and one-pot synthesis of benzilic acid and phenytoin derivatives

Li, Xiaona,Xia, Dandan,Wen, Zhiyong,Gong, Bowen,Sun, Maolin,Wu, Yue,Zhang, Jie,Sun, Jun,Wu, Yang,Bao, Kai,Zhang, Weige

, p. 63 - 69 (2018/06/26)

A clean and efficient protocol for selective oxidation of α-hydroxy ketones using magnetic magnetite nanoparticals (Fe3O4·MNPs) as catalyst with air as green oxidant has been developed. Application of Fe3O4·MNPs was also proved to be successful in one-pot synthesis of benzilic acid and phenytoin derivatives. The facile one-pot procedure enhanced the production efficiency, shortened the reaction time and minimized the chemical waste. Notably, the catalyst can be reused at least for five times without any appreciable loss of its activity.

Synthetic method for 1,2-diketone

-

Paragraph 0017, (2018/04/01)

The invention relates to the field of novel materials of fine chemicals, and especially relates to a novel technology for preparing 1,2-diketone compounds by using acyl halides which are simple and easy to obtain and by performing direct condensation coupling under promotion of a metal. Corresponding chemical reaction equations are shown in the description.

HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK

-

, (2014/05/20)

Disclosed herein are new heterocyclic compounds of Formula IIa: and compositions thereof, and their application as pharmaceuticals for the treatment of disease. Methods of inhibiting PAS Kinase (PASK) activity in a human or animal subject are also provided for the treatment of diseases such as diabetes mellitus.

Synthesis of ferrocene derivatives with planar chirality via palladium-catalyzed enantioselective C-H bond activation

Pi, Chao,Cui, Xiuling,Liu, Xiuyan,Guo, Mengxing,Zhang, Hanyu,Wu, Yangjie

supporting information, p. 5164 - 5167 (2014/12/11)

The first catalytic and enantioselective C-H direct acylation of ferrocene derivatives has been developed. A series of 2-acyl-1-dimethylaminomethylferrocenes with planar chirality were provided under highly efficient and concise one-pot conditions with up to 85% yield and 98% ee. The products obtained could be easily converted to various chiral ligands via diverse transformations.

Assisted tandem catalytic cross metathesis-oxidation: In one flask from styrenes to 1,2-diketones and further to quinoxalines

Schmidt, Bernd,Krehl, Stefan,Hauke, Sylvia

, p. 5427 - 5435 (2013/07/25)

1,2-Diketones were synthesized from styrenes by combining a cross metathesis and a Ru-catalyzed alkene oxidation to an assisted tandem catalytic sequence. The synthesis relies on the use of just one metathesis precatalyst, which was in situ converted to the oxidation catalyst by addition of an alkyl hydroperoxide as a chemical trigger and oxidant. The one-flask sequence can be extended beyond 1,2-diketones to quinoxalines, by condensation of the oxidation products with ortho-phenylenediamine.

Metal-free oxidation of α-hydroxy ketones to 1,2-diketones catalyzed by mesoporous carbon nitride with visible light

Zheng, Zhishuo,Zhou, Xiaosong

, p. 1683 - 1686,4 (2020/08/31)

As a photocatalyst, mesoporous carbon nitride (mpg-C3N 4) shows higher photocatalytic activities in organic synthesis. Herein we report an mpg-C3N4-catalyzed oxidation of α-hydroxy ketones to synthesize 1,2-diketones using visible light. This transformation represents a green and highly efficient synthetic route to synthesize 1,2-diketones for which catalytic approaches are scarce.

Synthesis of highly functionalized 9,10-phenanthrenequinones by oxidative coupling using MoCl5

Trosien, Simon,Waldvogel, Siegfried R.

supporting information; experimental part, p. 2976 - 2979 (2012/07/27)

The strong oxidative power of molybdenum pentachloride gives rise to an efficient oxidative C-C bond formation of benzil derivatives to the corresponding 9,10-phenanthrenequinones. A highly complementary method to previous approaches was developed. The required derivatives are accessible in a modular fashion and in excellent yields. By this approach the orchid-derived natural product cypripediquinone A was synthesized for the first time.

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