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Methyl 2-(bromomethyl)nicotinate, also known as Methyl 3-bromo-2-pyridinecarboxylate, is a chemical compound with the IUPAC name Methyl 2-[(bromomethyl)nicotinate] and the molecular formula C7H6BrNO2. It falls under various categories such as pyridines, heterocyclics, and halides. This niche product in the chemical industry is typically used in organic synthesis and is considered hazardous, requiring careful handling and adherence to safety protocols.

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  • 116986-08-4 Structure
  • Basic information

    1. Product Name: Methyl 2-(broMoMethyl)nicotinate
    2. Synonyms: Methyl 2-(broMoMethyl)nicotinate;3-Pyridinecarboxylic acid, 2-(broMoMethyl)-, Methyl ester
    3. CAS NO:116986-08-4
    4. Molecular Formula: C8H8BrNO2
    5. Molecular Weight: 230.05862
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 116986-08-4.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 291.3±30.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.533±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. PKA: 1.40±0.22(Predicted)
    10. CAS DataBase Reference: Methyl 2-(broMoMethyl)nicotinate(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methyl 2-(broMoMethyl)nicotinate(116986-08-4)
    12. EPA Substance Registry System: Methyl 2-(broMoMethyl)nicotinate(116986-08-4)
  • 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: 116986-08-4(Hazardous Substances Data)

116986-08-4 Usage

Uses

Used in Organic Synthesis:
Methyl 2-(bromomethyl)nicotinate is used as a chemical intermediate for various organic synthesis processes. Its unique structure and reactivity make it a valuable component in the preparation of complex molecules and specialty reactions.
Used in Research Applications:
In the chemical industry, Methyl 2-(bromomethyl)nicotinate is employed as a research compound, facilitating the exploration of new chemical reactions and the development of novel synthetic pathways. Its potential applications in research are vast, contributing to the advancement of chemical knowledge and innovation.
Used in Specialty Reactions:
Methyl 2-(bromomethyl)nicotinate is utilized in specialty reactions that require its specific chemical properties. Its reactivity and structural features make it suitable for use in the synthesis of advanced materials and compounds, further expanding its applications in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 116986-08-4 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,6,9,8 and 6 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 116986-08:
(8*1)+(7*1)+(6*6)+(5*9)+(4*8)+(3*6)+(2*0)+(1*8)=154
154 % 10 = 4
So 116986-08-4 is a valid CAS Registry Number.

116986-08-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-(bromomethyl)pyridine-3-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:116986-08-4 SDS

116986-08-4Relevant articles and documents

INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS

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Page/Page column 40; 45, (2022/02/05)

Provided herein are compounds of formula (V) that bind to BF3 of an androgen receptor (AR), which can modulate the AR for the treatment of Kennedy's disease.

MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF

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Paragraph 0311-0312, (2021/01/29)

Disclosed are macrocyclic compounds having the general Formula (I) or (II) and their tautomeric forms, stereoisomers, pharmaceutically acceptable salts, hydrates, solvates and prodrugs thereof, and their combination with suitable medicament, corresponding processes for the synthesis and pharmaceutical compositions and uses of compounds disclosed herein.

Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents

Pagare, Piyusha P.,Ghatge, Mohini S.,Chen, Qiukan,Musayev, Faik N.,Venitz, Jurgen,Abdulmalik, Osheiza,Zhang, Yan,Safo, Martin K.

, p. 14724 - 14739 (2020/11/30)

Aromatic aldehydes elicit their antisickling effects primarily by increasing the affinity of hemoglobin (Hb) for oxygen (O2). However, challenges related to weak potency and poor pharmacokinetic properties have hampered their development to treat sickle cell disease (SCD). Herein, we report our efforts to enhance the pharmacological profile of our previously reported compounds. These compounds showed enhanced effects on Hb modification, Hb-O2 affinity, and sickling inhibition, with sustained pharmacological effects in vitro. Importantly, some compounds exhibited unusually high antisickling activity despite moderate effects on the Hb-O2 affinity, which we attribute to an O2-independent antisickling activity, in addition to the O2-dependent activity. Structural studies are consistent with our hypothesis, which revealed the compounds interacting strongly with the polymer-stabilizing αF-helix could potentially weaken the polymer. In vivo studies with wild-type mice demonstrated significant pharmacologic effects. Our structure-based efforts have identified promising leads to be developed as novel therapeutic agents for SCD.

Azacyclo diketone compound and preparation method thereof

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Paragraph 0590-0595, (2020/06/17)

The invention provides an azacyclo diketone compound, which is a compound represented by the following structure defined in the specification, or a pharmaceutically acceptable salt thereof. The invention provides a compound having an inhibitory activity on influenza (flu) virus proliferation, particularly on influenza-related cap-dependent endonuclease to inhibit influenza virus proliferation so as to treat or prevent influenza. The present invention relates to a substituted azacyclo diketone compound having inhibitory activity on cap-dependent endonuclease, and a pharmaceutical composition containing the substituted azacyclo diketone compound.

Azacycle diketone compound and preparation method thereof (by machine translation)

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Paragraph 0480-0486, (2020/09/12)

The invention provides a azacyclodiketone compound which is characterized by being a compound represented by the following structure. The compound has inhibitory activity on cap-dependent endonuclease. (by machine translation)

DIARYLHYDANTOIN COMPOUNDS AND METHODS OF USE THEREOF

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Page/Page column 80, (2020/06/19)

The disclosure relates to anti-cancer compounds derived from nuclear steroid receptor binders, to products containing the same, as well as to methods of their use and preparation. The present disclosure provides compounds having hormone receptor antagonist activity. These compounds can be useful in treating cancer, in particular those cancers which can be potentiated by AR and/or GR antagonism.

AROMATIC ALDEHYDES WITH SUSTAINED AND ENHANCED IN VITRO AND IN VIVO PHARMACOLOGIC ACTIVITY TO TREAT SICKLE CELL DISEASE

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Page/Page column 33, (2019/10/15)

Compounds and methods for preventing and/or treating one or more symptoms of sickle cell diseases (SCD) by administering at least one of the compounds are provided. The compounds are based on vanillin which is chemically modified to increase bioavailability and activity, e.g. so that the compounds bind to the F helix of hemoglobin (Hb) and prevent adhesion of red blood cells (RBCs).

PRMT5 INHIBITORS AND USES THEREOF

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, (2016/04/20)

Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof:wherein Y1 is of formula (?) or formula (y):Ring Y is a 5- to 6-membered heteroaryl ring; and V4, V5, Rx, x, y, and n are as defined herein. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION

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Page/Page column 49, (2012/05/20)

The present invention relates to compounds of formula (IA), (IB) and (IC) and pharmaceutically acceptable salts thereof, wherein R1-R7 are as defined herein. The invention also relates to pharmaceutical compositions comprising these

Chemical exchange saturation transfer contrast agents

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Page/Page column 10, (2008/06/13)

Chelating ligands and metal chelates useful as CEST MR contrast agents are disclosed. The CEST agents can be used to evaluate blood volume changes in the heart and brain.

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