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((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE, a dicarbonitrile derivative of benzaldehyde with the molecular formula C13H10N2O2, is a yellow solid that is sparingly soluble in water but soluble in organic solvents. It is a chemical compound primarily used as a reactant in organic synthesis, known for its unique chemical structure and reactivity.

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  • 2972-80-7 Structure
  • Basic information

    1. Product Name: ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE
    2. Synonyms: RARECHEM AL BX 0062;((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE;2-(3,4-DIMETHOXYBENZYLIDENE)-MALONONITRILE;AKOS USSH-4110228;(3,4-Dimethoxybenzylidene)malononitrile
    3. CAS NO:2972-80-7
    4. Molecular Formula: C12H10N2O2
    5. Molecular Weight: 214.22
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2972-80-7.mol
  • Chemical Properties

    1. Melting Point: 147 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: 377.3°C at 760 mmHg
    3. Flash Point: 155.9°C
    4. Appearance: /
    5. Density: 1.18g/cm3
    6. Vapor Pressure: 6.82E-06mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(2972-80-7)
    12. EPA Substance Registry System: ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE(2972-80-7)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2972-80-7(Hazardous Substances Data)

2972-80-7 Usage

Uses

Used in Pharmaceutical Industry:
((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE is used as a reactant in the synthesis of pharmaceuticals for its potential applications in drug discovery and development. Its unique chemical structure and reactivity make it a valuable component in the creation of new medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical sector, ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE is utilized as a reactant in the production of agrochemicals, contributing to the development of innovative and effective products for agricultural applications.
Used in Specialty Chemicals Production:
((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE serves as a building block for the synthesis of various specialty chemicals, playing a crucial role in the development of a wide range of chemical products with specific applications.
Used in Organic Synthesis:
As a key reactant in organic synthesis, ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE is employed for the creation of diverse organic compounds, showcasing its versatility and importance in the field of chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 2972-80-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,9,7 and 2 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 2972-80:
(6*2)+(5*9)+(4*7)+(3*2)+(2*8)+(1*0)=107
107 % 10 = 7
So 2972-80-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H10N2O2/c1-15-11-4-3-9(6-12(11)16-2)5-10(7-13)8-14/h3-6H,1-2H3

2972-80-7SDS

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 ((3,4-DIMETHOXYPHENYL)METHYLENE)METHANE-1,1-DICARBONITRILE

1.2 Other means of identification

Product number -
Other names 2-[(3,4-dimethoxyphenyl)methylene]malononitrile

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:2972-80-7 SDS

2972-80-7Relevant articles and documents

A new imidazole-functionalized 3D-cobalt metal-organic framework as a high efficiency heterogeneous catalyst for Knoevenagel condensation reaction of furfural

Feng, Lixi,Gu, Wen,Liu, Xin,Liu, Zhida,Ning, Liangmin,Wang, Kaiyuan

, (2020)

We have synthesized a new 3D Co(Ⅱ) based metal-organic framework [Co(pytpy)(AIP)·H2O]n(1)(C2/c)(pytpy = 4’-(4-pyridyl)-4,2’:6′,4″-terpyridine,AIP = 5-aminoisophthalic acid) by solvothermal method. Its crystal structure was determined

A bi-functional 3D PbII–organic framework for Knoevenagel condensation reaction and highly selective luminescent sensing of Cr2O7 2?

Miao, Chaolin

, p. 86 - 92 (2019)

A novel 3D PbII–organic framework {Pb(AIA)2}n (denoted as 1) can be successfully constructed by the assembly of 5-aminonicotinic acid (HAIA) and PbII cation under hydrothermal condition. The prepared 1 can be in

A mononuclear Cu(II)-based metal-organic framework as an efficient heterogeneous catalyst for chemical transformation of CO2 and Knoevenagel condensation reaction

Guo, Feng

, p. 87 - 92 (2019)

A novel 2D Cu(II) metal-organic framework, [(Cu(L)2·(H2O)2·(NO3)2]n (namely 1), can be synthesized by the self-assemble of 4-(5-methyl-3-pyridine)-1,2,4-triazole (namely L) and Cu(II) ion.

A novel 3D MOF with rich lewis basic sites as a base catalysis toward knoevenagel condensation reaction

Zhao, Shixia

, p. 11 - 15 (2018)

A novel 3D MOF with high stability, {[Eu(TATMA)(H2O)·2H2O}n (namely 1), was solvothermally synthesized by a semi-rigid organic ligand 4,4,4″-s-triazine-1,3,5-triyltri-m-aminobenzoic acid (denoted as H3TATMA) and

Two 3D Metal-Organic Frameworks Based on CoII and ZnII Clusters for Knoevenagel Condensation Reaction and Highly Selective Luminescence Sensing

He, Hongming,Zhu, Qian-Qian,Sun, Fuxing,Zhu, Guangshan

, p. 5573 - 5581 (2018)

Two metal-organic frameworks (MOFs) with 3D structures, {[Co24(BDPO)12(H2O)12]·18DMF·40H2O}n (1) and {[NH2(CH3)2]4[Zn3(HBDPO)2/s

A highly stable 3D metal?organic framework for selectively luminescent sensing and knoevenagel condensation reaction

Guo, Feng,Su, Changhua,Chu, Zepeng,Zhao, Minghui

, p. 25 - 31 (2019)

A 3D metal?organic framework with excellent stability based on ZnII and a neutral linker (namely L), {[ZnL(H2O)]?2NO3?2DEF}n (namely 1), has been constructed under the commonly solvothermal condition. The as-syn

Two PbII-based coordination polymers based on 5-aminonicotinic acid and 5-hydroxynicotinic acid for Knoevenagel condensation reaction and luminescent sensor

Zhang, Xiuling,Zhang, Ranhui,Jin, Yaoqiang,Li, Tingting

, (2019)

Two new PbII-based coordination polymers based on 5-aminonicotinic acid (namely HL–NH2) and 5-hydroxynicotinic acid (namely HL–OH) are both successfully synthesized under solvothermal synthesis conditions. PbCl2 and HL-NH

Nanochannel-based {BaZn}-organic framework for catalytic activity on the cycloaddition reaction of epoxides with CO2and deacetalization-Knoevenagel condensation

Chen, Hongtai,Fan, Liming,Gao, Yanpeng,Lv, Hongxiao,Zhang, Xiutang

, p. 3546 - 3556 (2022/03/14)

Herein, the rare combination of BaII (5s) and ZnII (3d) in the presence of the structure-oriented TDP6- ligand generated the nanochannel-based hybrid material {[(CH3)2NH2]2[BaZn(TDP)(H2O)]·DMF·5H2O}n (NUC-51, H6TDP = 2,4,6-tri(2,4-dicarboxyphenyl)pyridine), which possesses excellent physicochemical characteristics such as nanoscopic channels, high porosity, large specific surface area, and high heat/water-resistance. To the best of our knowledge, this is the first 3D [BaIIZnII(CO2)6(H2O)]-based nano-porous host framework, whose activated state possesses the coexistence of Lewis acid-base sites including 4-coordinated Zn2+ ions, 7-coordinated Ba2+ ions, uncoordinated carboxyl oxygen atoms, and Npyridine atoms. Catalytic experiments exhibited that activated NUC-51a possesses a high catalytic activity on the cycloaddition reactions of epoxides with CO2 at 55 °C, which can be ascribed to its structural advantages of nanoscale channels and rich bifunctional active sites. Moreover, NUC-51a could significantly accelerate the deacetalization-Knoevenagel condensation reaction in DMSO solvent at 70 °C.

Kinetically Controllable Pd-Catalyzed Decarboxylation Enabled [5 + 2] and [3 + 2] Cycloaddition toward Carbocycles Featuring Quaternary Carbons

Yan, Biwei,Zuo, Linhong,Chang, Xiaowei,Liu, Teng,Cui, Manying,Liu, Yang,Sun, Haiyu,Chen, Weipeng,Guo, Wusheng

supporting information, p. 351 - 357 (2021/01/26)

A decarboxylative protocol has been developed toward a range of carbocycles. The key success is based on the use of a batch of newly designed cyclic carbonates as substrates that can provide carbon-carbon zwitterion intermediate under palladium catalysis.

Synthesis of 5H-indeno[1,2-b]pyridine derivatives: Antiproliferative and antimetastatic activities against two human prostate cancer cell lines

Charris, Katiuska E.,Rodrigues, Juan R.,Ramírez, Hegira,Fernandez-Moreira, Esteban,ángel, Jorge E.,Charris, Jaime E.

, (2021/05/07)

This study describes the direct synthesis of 2-amino-4-(phenylsubstituted)-5H-indeno[1,2-b]pyridine-3-carbonitrile derivatives 5–21, through sequential multicomponent reaction of aromatic aldehydes, malononitrile, and 1-indanone in the presence of ammonium acetate and acetic acid (catalytic). The biological study showed that compound 10 significantly impeded proliferation of the cell lines PC-3, LNCaP, and MatLyLu. The antimetastatic effects of compound 10 could be related with inhibition of MMP9 in the PC-3 and LNCaP human cell lines. On the basis of a study of the structure–activity relationship of these compounds, we propose that the presence of two methoxy groups at positions 6 and 7 of the indeno nucleus and a 4-hydroxy-3-methoxy phenyl substitution pattern at position 4 of the pyridine ring is decisive for these types of molecules to exert?very good antiproliferative and antimetastatic activities.

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