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4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE is a chemical compound characterized by the molecular formula C10H9NO6. It is an organic intermediate with a formyl group, a methoxy group, and a nitro group attached to a phenyl ring, making it a versatile building block in the synthesis of pharmaceuticals and agrochemicals.

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  • 2698-69-3 Structure
  • Basic information

    1. Product Name: 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE
    2. Synonyms: 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE;AKOS B029358;1-Formyl-4-methoxy-3-nitrophenyl acetate;Benzaldehyde, 4-(acetyloxy)-3-methoxy-2-nitro- (9CI);2-Methoxy-3-nitro-4-formylphenyl acetate;2-Nitro-3-methoxy-4-acetoxybenzaldehyde;Acetic acid 2-methoxy-3-nitro-4-formylphenyl ester;Acetic acid 4-formyl-2-methoxy-3-nitrophenyl ester
    3. CAS NO:2698-69-3
    4. Molecular Formula: C10H9NO6
    5. Molecular Weight: 239.18
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 2698-69-3.mol
  • Chemical Properties

    1. Melting Point: 87 °C
    2. Boiling Point: 377°Cat760mmHg
    3. Flash Point: 175.7°C
    4. Appearance: /
    5. Density: 1.37g/cm3
    6. Vapor Pressure: 6.94E-06mmHg at 25°C
    7. Refractive Index: 1.573
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE(2698-69-3)
    12. EPA Substance Registry System: 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE(2698-69-3)
  • 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: 2698-69-3(Hazardous Substances Data)

2698-69-3 Usage

Uses

Used in Pharmaceutical Industry:
4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE is used as a key intermediate in the synthesis of various pharmaceuticals. Its unique properties and reactivity contribute to the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE serves as an essential intermediate for the production of agrochemicals. Its chemical structure allows for the creation of compounds with pesticidal or herbicidal properties, enhancing crop protection and yield.
Used in Dye and Pigment Production:
4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE is utilized in the manufacturing of dyes and pigments due to its chemical composition. Its ability to impart color makes it a valuable component in the production of various colorants used in different industries.
Used in Chemical Industry for Various Purposes:
4-FORMYL-2-METHOXY-3-NITROPHENYL ACETATE's versatility extends to the broader chemical industry, where it is employed for a range of applications. Its unique structure and reactivity make it suitable for use in various chemical processes and the development of new materials.

Check Digit Verification of cas no

The CAS Registry Mumber 2698-69-3 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,6,9 and 8 respectively; the second part has 2 digits, 6 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 2698-69:
(6*2)+(5*6)+(4*9)+(3*8)+(2*6)+(1*9)=123
123 % 10 = 3
So 2698-69-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H9NO6/c1-6(13)17-8-4-3-7(5-12)9(11(14)15)10(8)16-2/h3-5H,1-2H3

2698-69-3SDS

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 (4-formyl-2-methoxy-3-nitrophenyl) acetate

1.2 Other means of identification

Product number -
Other names 2-nitrovanillin acetate

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:2698-69-3 SDS

2698-69-3Relevant articles and documents

O-(DIHYDROBENZOFURANYL)-DIBENZO-α-PYRONES FROM UMTIZA LISTERANA

Burger, Adrian P. N.,Brandt, Edward V.,Roux, David G.

, p. 2813 - 2818 (1983)

The novel metabolites (2'S,3'R)-3,10-dihydroxy-9-O-(6'-hydroxy-2'-hydroxymethyldihydrofuran-3-yl)-dibenz--pyran-6-one and its 5',6'-dihydroxy analogue are accompanied in the heartwood of Umtiza listerana by several known flavonoids and the parent 3,9,10-trihydroxydibenz--pyran-6-one.The latter, used for structural elucidation of the complex dibenzo-α-pyrones, was synthesized via a Hurtley condensation.Key Word Index-Umtiza listerana; Leguminosae; heartwood metabolites; (2'S,3'R)-3,10-dihydroxy-9-O-(6'-hydroxy-2'-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one; (2'S,3'R)-3,10-dihydroxy-9-O-(5',6'-dihydroxy-2'-hydroxymethyldihydrobenzofuran-3-yl)-dibenz--pyran-6-one; 3,9,10-trihydroxydibenz--pyran-6-one; flavonoids; 1H NMR; synthesis.

Preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid

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Paragraph 0050-0052; 0057-0059; 0064-0066, (2020/07/12)

The invention discloses a preparation method of 3-hydroxy-4-methoxy-2-nitrobenzoic acid, and belongs to the field of synthesis of medical intermediates. The preparation method comprises the followingsteps: starting from 3-alkoxy-4-acetoxybenzaldehyde (1), carrying out a nitration reaction process to obtain an intermediate (2), removing acetyl from the intermediate (2) to obtain an intermediate (3), methylating to obtain an intermediate (4), oxidizing the intermediate (4) to obtain an intermediate (5), deprotecting the intermediate (5), and recrystallizing to remove the isomer, thereby obtaining the 3-hydroxy-4-methoxy-2-nitrobenzoic acid (6). The method is simple, convenient and stable to operate, high in yield, environment-friendly, low in production cost and suitable for industrial large-scale production, and products in all steps are easy to separate.

BORON-CONTAINING SMALL MOLECULES

-

Paragraph 0295, (2017/09/19)

Compounds, pharmaceutical formulations, and methods of treating bacterial infections are disclosed.

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

-

Paragraph 0309; 0310; 0312, (2017/09/01)

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.

METHOD FOR PREPARING DIPHENYLMETHANE DERIVATIVES

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Paragraph 0197; 0198; 0199; 0200, (2017/09/29)

The present invention relates to an improved process for preparing a diphenyl methane derivative which is useful as an inhibitor of a sodium-dependent glucose transporter (SGLT). Since the process of the present invention is performed by convergent synthe

Design, synthesis and biological evaluation of 2,3-dihydroimidazo[1,2-: C] quinazoline derivatives as novel phosphatidylinositol 3-kinase and histone deacetylase dual inhibitors

Wu, Yichao,Dai, Weichen,Chen, Xin,Geng, Aixin,Chen, Yadong,Lu, Tao,Zhu, Yong

, p. 52180 - 52186 (2017/11/22)

Histone deacetylase (HDAC) inhibitors are known to induce multiple epigenetic modifications affecting signaling networks and act synergistically with phosphatidylinositol 3-kinase (PI3K) inhibitors for the treatment of cancer. Herein we present a novel design approach for cancer drug development by incorporating HDAC inhibitory functionality into a PI3K inhibitor pharmacophore to construct dual-acting inhibitors. The designed compounds were synthesized and showed inhibitory activities against PI3K and HDAC. The representative dual PI3K/HDAC inhibitors, compounds 12a-j, showed potent antiproliferative activities against K562 and Hut78 in cellular assays. This work may lay the foundation for developing novel dual PI3K/HDAC inhibitors as potential anticancer therapeutics.

SYNTHESIS OF PI3K INHIBITOR AND SALTS THEREOF

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Page/Page column 40-41, (2016/06/01)

The present invention relates to a novel method of preparing a compound of formula (I) or salt thereof, to novel intermediate compounds, to the use of said novel intermediate compounds for the preparation of said compound of formula (I) or salt thereof. T

Discovery and SAR of Novel 2,3-Dihydroimidazo[1,2-c]quinazoline PI3K Inhibitors: Identification of Copanlisib (BAY 80-6946)

Scott, William J.,Hentemann, Martin F.,Rowley, R. Bruce,Bull, Cathy O.,Jenkins, Susan,Bullion, Ann M.,Johnson, Jeffrey,Redman, Anikó,Robbins, Arthur H.,Esler, William,Fracasso, R. Paul,Garrison, Timothy,Hamilton, Mark,Michels, Martin,Wood, Jill E.,Wilkie, Dean P.,Xiao, Hong,Levy, Joan,Stasik, Enrico,Liu, Ningshu,Schaefer, Martina,Brands, Michael,Lefranc, Julien

, p. 1517 - 1530 (2016/08/27)

The phosphoinositide 3-kinase (PI3K) pathway is aberrantly activated in many disease states, including tumor cells, either by growth factor receptor tyrosine kinases or by the genetic mutation and amplification of key pathway components. A variety of PI3K isoforms play differential roles in cancers. As such, the development of PI3K inhibitors from novel compound classes should lead to differential pharmacological and pharmacokinetic profiles and allow exploration in various indications, combinations, and dosing regimens. A screening effort aimed at the identification of PI3Kγ inhibitors for the treatment of inflammatory diseases led to the discovery of the novel 2,3-dihydroimidazo[1,2-c]quinazoline class of PI3K inhibitors. A subsequent lead optimization program targeting cancer therapy focused on inhibition of PI3Kα and PI3Kβ. Herein, initial structure–activity relationship findings for this class and the optimization that led to the identification of copanlisib (BAY 80-6946) as a clinical candidate for the treatment of solid and hematological tumors are described.

SYNTHESIS OF COPANLISIB AND ITS DIHYDROCHLORIDE SALT

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Page/Page column 47, (2016/06/01)

The present invention relates to a novel method of preparing copanlisib, copanlisib dihydrochloride, or hydrates of copanlisib dihydrochloride, to novel intermediate compounds, and to the use of said novel intermediate compounds for the preparation of said copanlisib, copanlisib dihydrochloride, or hydrates of copanlisib dihydrochloride. The present invention also relates to copanlisib dihydrochloride hydrates as compounds.

SYNTHESIS OF PI3K INHIBITOR AND SALTS THEREOF

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Page/Page column 42, (2016/06/01)

The present invention relates to a novel method of preparing a compound of formula (I) or salt thereof, to novel intermediate compounds, to the use of said novel intermediate compounds for the preparation of said compound of formula (I) or salt thereof an

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