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TERT-BUTYL 2-FLUORO-4-NITROBENZOATE, with the molecular formula C12H14FNO4, is an ester derivative of 2-fluoro-4-nitrobenzoic acid that features a tert-butyl group. This chemical compound is recognized for its reactivity and versatility in undergoing a range of chemical reactions, which positions it as a significant intermediate in the synthesis of pharmaceuticals and agrochemicals. Its utility extends to the field of medicinal chemistry and drug discovery, where it serves as a valuable research tool.

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  • 157665-46-8 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 2-FLUORO-4-NITROBENZOATE
    2. Synonyms: TERT-BUTYL 2-FLUORO-4-NITROBENZOATE;2-FLUORO-4-NITROBENZOIC ACID T-BUTYL ESTER;2-FLUORO-4-NITRO-BENZOIC ACID TERT-BUTYL ESTER;T-BUTYL-2-FLUORO-4-NITRO-BENZOATE
    3. CAS NO:157665-46-8
    4. Molecular Formula: C11H12FNO4
    5. Molecular Weight: 241.22
    6. EINECS: N/A
    7. Product Categories: Miscellaneous
    8. Mol File: 157665-46-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 337.9±32.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.250±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: TERT-BUTYL 2-FLUORO-4-NITROBENZOATE(CAS DataBase Reference)
    10. NIST Chemistry Reference: TERT-BUTYL 2-FLUORO-4-NITROBENZOATE(157665-46-8)
    11. EPA Substance Registry System: TERT-BUTYL 2-FLUORO-4-NITROBENZOATE(157665-46-8)
  • 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: 157665-46-8(Hazardous Substances Data)

157665-46-8 Usage

Uses

Used in Organic Synthesis:
TERT-BUTYL 2-FLUORO-4-NITROBENZOATE is used as a building block for the synthesis of various organic molecules, leveraging its reactivity to form new compounds with potential applications in different industries.
Used in Pharmaceutical Research:
In the pharmaceutical industry, TERT-BUTYL 2-FLUORO-4-NITROBENZOATE is utilized as an intermediate in the development of new drugs, contributing to the creation of molecules with therapeutic properties.
Used in Agrochemical Production:
Similarly, in agrochemical research, this compound is employed as a precursor to synthesize molecules that can be used in the development of pesticides and other agricultural chemicals, aiming to enhance crop protection and yield.
Used in Medicinal Chemistry and Drug Discovery:
TERT-BUTYL 2-FLUORO-4-NITROBENZOATE also serves as a research tool in medicinal chemistry, where it aids in the exploration of new chemical entities and the optimization of drug candidates for improved efficacy and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 157665-46-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,7,6,6 and 5 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 157665-46:
(8*1)+(7*5)+(6*7)+(5*6)+(4*6)+(3*5)+(2*4)+(1*6)=168
168 % 10 = 8
So 157665-46-8 is a valid CAS Registry Number.

157665-46-8SDS

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 TERT-BUTYL 2-FLUORO-4-NITROBENZOATE

1.2 Other means of identification

Product number -
Other names AB1289

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:157665-46-8 SDS

157665-46-8Relevant articles and documents

SUBSTITUTED OXOPYRIDINE DERIVATIVES

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Paragraph 0507-0510, (2017/11/07)

The invention relates to substituted oxopyridine derivatives and to processes for preparation thereof, and also to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases, especially of cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders

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Paragraph 0653-0656, (2016/05/02)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF

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Paragraph 0760; 0889-0893, (2016/07/05)

There is provided a morpholine derivative represented by General Formula [1A] or a salt thereof. (In the formula, a ring A represents a ring represented by General Formula [I]; * represents a bonding position; Z2 represents CH or the like; Z1 represents CR6 or the like; R6 represents a hydrogen atom or the like; X1 represents CHR7 or the like; R7 represents a hydrogen atom or the like; X2 represents CH2 or the like; R1 and R2 are the same as or different from each other, and each of R1 and R2 represents a hydrogen atom or the like; R3, R4, and R5 are the same as or different from each other, and each of R3, R4, and R5 represents a hydrogen atom, NRaRb, or the like; and each of Ra and Rb represents a hydrogen atom, a C1-8 alkyl group which may have a substituent, or the like.)

SUBSTITUTED OXOPYRIDINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF CARDIOVASCULAR DISORDERS

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Paragraph 0872-0875, (2016/10/07)

The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

HETEROCYCLIC COMPOUND

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Paragraph 0535; 0548, (2015/03/03)

The present invention provides an agent for the prophylaxis or treatment of autoimmune diseases (e.g., psoriasis, rheumatoid arthritis, inflammatory bowel disease, Sjogren's syndrome, Behcet's disease, multiple sclerosis, systemic lupus erythematosus etc.) and the like, which has a superior Tyk2 inhibitory action. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the specification, or a salt thereof.

NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS

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Page/Page column 49-50, (2009/01/20)

The present invention relates to novel oxazolidinone compounds of formula (I) with antibacterial activity, their pharmaceutically acceptable salts, their stereoisomers, their prodrugs, pharmaceutical compositions comprising the same and to their use as therapeutic agents

Novel oxazolidinone-quinolone hybrid antimicrobials

Gordeev, Mikhail F.,Hackbarth, Corinne,Barbachyn, Michael R.,Banitt, Lee S.,Gage, James R.,Luehr, Gary W.,Gomez, Marcela,Trias, Joaquim,Morin, Sara E.,Zurenko, Gary E.,Parker, Christian N.,Evans, Jonathan M.,White, Richard J.,Patel, Dinesh V.

, p. 4213 - 4216 (2007/10/03)

Antimicrobial compounds incorporating oxazolidinone and quinolone pharmacophore substructures have been synthesized and evaluated. Representative analogues 2, 5, and 6 display an improved potency versus linezolid against gram-positive and fastidious gram-negative pathogens. The compounds are also active against linezolid- and ciprofloxacin-resistant Staphylococcus aureus and Enterococcus faecium strains. The MOA for these new antimicrobials is consistent with a combination of protein synthesis and gyrase A/topoisomerase IV inhibition, with a structure-dependent degree of the contribution from each inhibitory mechanism.

Oxazolidinone compounds and compositions, and methods of using the same

-

, (2008/06/13)

Oxazolidinones and methods for their synthesis are provided. Further provided are methods of making biologically active oxazolidinones as well as pharmaceutically acceptable compositions comprising the oxazolidinones. Oxazolidinones as disclosed herein can be readily synthesized and used in a variety of applications including use as antimicrobial agents. In one embodiment, a variety of thioamidomethyloxazolidinones and methods for their synthesis and use are provided.

Oxazolidinone combinatorial libraries, compositions and methods of preparation

-

, (2008/06/13)

Oxazolidinones and methods for their synthesis are provided. Also provided are combinatorial libraries comprising oxazolidinones, and methods to prepare the libraries. Further provided are methods of making biologically active oxazolidinones as well as pharmaceutically acceptable compositions comprising the oxazolidinones. The methods of library preparation include the attachment of oxazolidinones to a solid support. The methods of compound preparation in one embodiment involve the reaction of an iminophosphorane with a carbonyl containing polymeric support.

Quinazoline antifolate thymidylate synthase inhibitors: Replacement of glutamic acid in the C2-methyl series

Marsham,Jackman,Barker,Boyle,Pegg,Wardleworth,Kimbell,O'Connor,Calvert,Hughes

, p. 994 - 1004 (2007/10/02)

The synthesis of a series of analogues of the potent thymidylate synthase (TS) inhibitor N-[4[N-[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-N- prop-2-ynylamino]benzoyl]-L-glutamic acid (ICI 198583, 1) is described in which the glutamic acid residu

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