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Methyl 3-nitro-4-bromomethylbenzoate is an organic compound that features a nitro group at the 3-position and a bromomethyl group at the 4-position on a benzene ring, with a methyl ester group attached. This chemical structure endows it with unique reactivity and properties that make it a versatile intermediate in organic synthesis.

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  • 88089-94-5 Structure
  • Basic information

    1. Product Name: methyl 3-nitro-4-bromomethylbenzoate
    2. Synonyms: methyl 3-nitro-4-bromomethylbenzoate;Methyl 4-(bromomethyl)-3-nitrobenzoate
    3. CAS NO:88089-94-5
    4. Molecular Formula: C9H8BrNO4
    5. Molecular Weight: 274.06812
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 88089-94-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 364.5±32.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.624±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: methyl 3-nitro-4-bromomethylbenzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: methyl 3-nitro-4-bromomethylbenzoate(88089-94-5)
    11. EPA Substance Registry System: methyl 3-nitro-4-bromomethylbenzoate(88089-94-5)
  • 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: 88089-94-5(Hazardous Substances Data)

88089-94-5 Usage

Uses

Used in Organic Synthesis:
Methyl 3-nitro-4-bromomethylbenzoate is used as a reactant for the preparation of various complex organic molecules. Its presence allows for the creation of nitrobenzyl-substituted α-hydroxy esters, which are important in the synthesis of pharmaceuticals and other bioactive compounds.
Used in the Preparation of (Hydroxy)Oxindoles:
methyl 3-nitro-4-bromomethylbenzoate serves as a key intermediate in the synthesis of (hydroxy)oxindoles, which are structural motifs found in many natural products and biologically active molecules. The nitro and bromomethyl groups in methyl 3-nitro-4-bromomethylbenzoate facilitate the formation of these oxindole derivatives through a series of chemical reactions.
Used in the Synthesis of Benzosultams:
Methyl 3-nitro-4-bromomethylbenzoate is also utilized in the preparation of benzosultams, which are compounds with potential applications in medicinal chemistry. The synthesis of these compounds often involves the use of the bromomethyl group for subsequent reactions, such as nucleophilic substitution, to introduce various functional groups.

Check Digit Verification of cas no

The CAS Registry Mumber 88089-94-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,8,0,8 and 9 respectively; the second part has 2 digits, 9 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 88089-94:
(7*8)+(6*8)+(5*0)+(4*8)+(3*9)+(2*9)+(1*4)=185
185 % 10 = 5
So 88089-94-5 is a valid CAS Registry Number.

88089-94-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 4-(bromomethyl)-3-nitrobenzoate

1.2 Other means of identification

Product number -
Other names 4-bromomethyl-3-nitro-benzoic acid methyl ester

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:88089-94-5 SDS

88089-94-5Relevant articles and documents

NOVEL SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS D-AMINO ACID OXIDASE (DAAO) INHIBITORS

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Paragraph 00266, (2018/04/13)

The present invention provides novel substituted benzimidazole derivatives used as DAAO inhibitors and for treatment and/or prevention of neurological disorders.

SMALL MOLECULE MODULATORS OF HUMAN STING

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Page/Page column 93; 94, (2019/01/10)

The present invention relates to compounds of formula (I). The compounds maybe used to modulate the Stimulator of Interferon Genes (STING) protein and thereby treat diseases such as cancer and microbial infections.

HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING

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Page/Page column 111, (2019/01/10)

The present invention relates to compounds of formula (I). The compounds may be used to modulate the Stimulator of Interferon Genes (STING) protein and thereby treat diseases such as cancer and microbial infections. (I)

PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS

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Paragraph 1365; 1366, (2015/11/25)

In one aspect this invention relates generally to compounds of Formula: and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X1, L1, L3, and R3 are described herein.

NOVEL COMPOUNDS

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Page/Page column 137, (2014/10/03)

The present invention relates substituted N-biphenyl-3-acetylamino-benzamides and N-[3-(acetylamino)phenyl]-biphenyl-carboxamides of general formula (I) as described and defined herein, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative disorder, as a sole agent or in combination with other active ingredients.

SUBSTITUTED HETEROCYCLIC ACETAMIDES AS KAPPA OPIOID RECEPTOR (KOR) AGONISTS

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Page/Page column 73, (2013/09/26)

The present invention relates to a series of substituted compounds having the general formula (I), including their ste reoisomers and/or their pharmaceutically acceptable salts, wherein R1, R2, R3. R4, R5, and R6 are as defined herein. This invention also relates to methods of making these compounds including intermediates. The compounds of this invention are effective at the kappa (κ) opioid receptor (KOR) site. Therefore, the compounds of this invention are useful as pharmaceutical agents, especially in the treatment and/or prevention of a variety of central nervous system disorders (CNS), including but not limited to acute and chronic pain, and associated disorders, particularly functioning peripherally at the CNS.

Synthesis and evaluation of the anti parasitic activity of aromatic nitro compounds

Lopes, Marcela S.,De Souza Pietra, Renata C.C.,Borgati, Tatiane F.,Romeiro, Carla F.D.,Júnior, Policarpo A.S.,Romanha, Alvaro J.,Alves, Ricardo J.,Souza-Fagundes, Elaine M.,Fernandes, Ana Paula S.M.,De Oliveira, Renata B.

scheme or table, p. 5443 - 5447 (2011/12/15)

A series of nitroaromatic compounds was synthesized and evaluated as potential antileishmanial and trypanocidal agents. Five compounds exerted significant anti-leishmanial activity in vitro against promastigotes forms of Leishmania (L.) amazonensis, with

INDAZOLE COMPOUNDS

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Page/Page column 9-10, (2008/12/05)

This invention relates to indazole compounds of formula (I) or (II) shown below. Each variable in formula (I) or (II) is defined in the specification. These compounds can be used to treat cancer.

BICYCLIC DERIVATIVES AS PPAR MODULATORS

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Page/Page column 93, (2008/06/13)

The present invention is directed to compounds represented by the following structural formula, Formula (I), and stereoisomers, pharmaceutically acceptable salts, solvates and hydrates thereof, wherein: (a) R2 is selected from the group consisting of C0-C8 alkyl and C1-4- heteroalkyl; (b) X is selected from the group consisting of a single bond, O, S, S(O)2 and N; (c) U is an aliphatic linker wherein one carbon atom of the aliphatic linker is optionally replaced with O, NH or S, and wherein such aliphatic linker is optionally substituted with from one to four substituents each independently selected from R30; (d) Y is selected from the group consisting of C, O, S, NH and a single bond; and (e) E is C(R3)(R4)A or A.

Methods of making 2,6-diaryl piperidine derivatives

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, (2008/06/13)

Methods for preparing 2,6-diaryl piperidine derivatives are described. More particularly, 2,6-diaryl piperidines having formula 1-4 are prepared by cyclocondensation of an aryl or heteroaryl aldehyde with 1,3-acetonedicarboxylic acid.

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