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1-N-BOC-3-FLUORO-ANILINE, with the molecular formula C14H18FN2O2, is a chemical compound derived from aniline. It features a fluorine atom and a BOC (tert-butyloxycarbonyl) protecting group, which contribute to its utility in various organic syntheses. 1-N-BOC-3-FLUORO-ANILINE serves as a building block for the creation of a range of organic molecules and is particularly valuable as an intermediate in the pharmaceutical industry for the synthesis of active pharmaceutical ingredients. Its unique chemical properties and reactions make it a versatile reagent with applications spanning medicinal chemistry, agrochemicals, and materials science.

81740-18-3

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81740-18-3 Usage

Uses

Used in Pharmaceutical Industry:
1-N-BOC-3-FLUORO-ANILINE is used as an intermediate for the synthesis of active pharmaceutical ingredients, leveraging its unique structure to contribute to the development of new medications.
Used in Organic Synthesis:
As a building block in organic synthesis, 1-N-BOC-3-FLUORO-ANILINE is utilized for the creation of a variety of organic molecules, taking advantage of its fluorine atom and BOC protecting group to facilitate specific chemical reactions and molecular constructions.
Used in Medicinal Chemistry:
1-N-BOC-3-FLUORO-ANILINE is employed as a versatile reagent in medicinal chemistry, where its unique chemical properties are harnessed to advance the discovery and design of novel therapeutic agents.
Used in Agrochemicals:
In the agrochemical industry, 1-N-BOC-3-FLUORO-ANILINE is used to develop new compounds for agricultural applications, potentially enhancing crop protection and productivity through its incorporation into innovative chemical formulations.
Used in Materials Science:
1-N-BOC-3-FLUORO-ANILINE also finds use in materials science, where its properties may contribute to the development of new materials with specialized characteristics, such as improved stability or reactivity in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 81740-18-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,1,7,4 and 0 respectively; the second part has 2 digits, 1 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 81740-18:
(7*8)+(6*1)+(5*7)+(4*4)+(3*0)+(2*1)+(1*8)=123
123 % 10 = 3
So 81740-18-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H14FNO2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H,13,14)

81740-18-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-N-Boc-3-Fluoroaniline

1.2 Other means of identification

Product number -
Other names tert-butyl N-(3-fluorophenyl)carbamate

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:81740-18-3 SDS

81740-18-3Relevant academic research and scientific papers

Ligand-Promoted Meta-C-H Arylation of Anilines, Phenols, and Heterocycles

Wang, Peng,Farmer, Marcus E.,Huo, Xing,Jain, Pankaj,Shen, Peng-Xiang,Ishoey, Mette,Bradner, James E.,Wisniewski, Steven R.,Eastgate, Martin D.,Yu, Jin-Quan

supporting information, p. 9269 - 9276 (2016/08/05)

Here we report the development of a versatile 3-acetylamino-2-hydroxypyridine class of ligands that promote meta-C-H arylation of anilines, heterocyclic aromatic amines, phenols, and 2-benzyl heterocycles using norbornene as a transient mediator. More than 120 examples are presented, demonstrating this ligand scaffold enables a wide substrate and coupling partner scope. Meta-C-H arylation with heterocyclic aryl iodides as coupling partners is also realized for the first time using this ligand. The utility for this transformation for drug discovery is showcased by allowing the meta-C-H arylation of a lenalidomide derivative. The first steps toward a silver-free protocol for this reaction are also demonstrated.

Highly ortho-Selective Chlorination of Anilines Using a Secondary Ammonium Salt Organocatalyst

Xiong, Xiaodong,Yeung, Ying-Yeung

supporting information, p. 16101 - 16105 (2016/12/26)

An organocatalytic, highly facile, efficient, and regioselective ortho-chlorination of anilines is described. A secondary ammonium chloride salt has been employed as the catalyst and the reaction can be conducted at room temperature without protection from air and moisture. In addition, the reaction is readily scalable and the catalyst can be recycled and reused. This catalytic protocol has been applied to the efficient synthesis of a highly potent c-Met kinase inhibitor. Mechanistic studies revealed that unique structural features of the secondary ammonium chloride salt are important for both the catalysis and regioselectivity of the electrophilic ortho-chlorination.

MULTIPLE D2 A(NTA)GONISTS/H3 ANTAGONISTS FOR TREATMENT OF CNS-RELATED DISORDERS

-

Page/Page column 39; 40, (2015/05/26)

The present invention relates to compounds compound according to Formula (III); and pharmaceutically acceptable salts, hydrates and solvates thereof. These compounds have D2receptor antagonist/(partial) agonist effects and H3antagonistic effects, pharmaceutical compositions thereof, and methods of using them for application in the prophylaxis or treatment of CNS disorders.

SUBSTITUTED ISOQUINOLINES AND THEIR USE AS TUBULIN POLYMERIZATION INHIBITORS

-

Page/Page column 196, (2011/12/14)

The present invention relates generally to substituted isoquinolines and their use as tubulin polymerization inhibitors. In particular, the invention relates to substituted isoquinolines which possess useful therapeutic activity, use of these compounds in methods of therapy and the manufacture of medicaments as well as compositions containing these compounds

Comparative catalytic C-H vs. C-Si activation of arenes with Pd complexes directed by urea or amide groups

Rauf, Waqar,Thompson, Amber L.,Brown, John M.

supporting information; experimental part, p. 3874 - 3876 (2010/01/06)

Analysis of regiocontrol in Pd-catalysed C-H activation leads to observations of aryltrimethylsilyl activation and to superior results with urea-based substrates.

SUBSTITUTED DIHYDROPYRIDINES AND METHODS OF USE

-

Page/Page column 129, (2010/11/27)

Compounds are provided that are modulators of the C5a receptor. The compounds are substituted dihydropyridines and are useful in pharmaceutical compositions, methods for the treatment of diseases and disorders involving the pathologic activtation of C5a receptors.

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