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Benzamide, 2-amino-3-fluoro(9CI) is a chemical compound with the formula C7H7FN2O. It is a fluoro-substituted derivative of benzamide, which is a white solid with a faint odor. Benzamide, 2-amino-3-fluoro(9CI) is known for its potential pharmacological and biological activities, making it a valuable asset in organic synthesis and pharmaceutical research.

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  • 187805-54-5 Structure
  • Basic information

    1. Product Name: Benzamide, 2-amino-3-fluoro- (9CI)
    2. Synonyms: Benzamide, 2-amino-3-fluoro- (9CI);2-aMino-3-fluorobenzaMide
    3. CAS NO:187805-54-5
    4. Molecular Formula: C7H7FN2O
    5. Molecular Weight: 154.1416832
    6. EINECS: N/A
    7. Product Categories: HALIDE;AMIDE
    8. Mol File: 187805-54-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzamide, 2-amino-3-fluoro- (9CI)(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzamide, 2-amino-3-fluoro- (9CI)(187805-54-5)
    11. EPA Substance Registry System: Benzamide, 2-amino-3-fluoro- (9CI)(187805-54-5)
  • 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: 187805-54-5(Hazardous Substances Data)

187805-54-5 Usage

Uses

Used in Pharmaceutical Research:
Benzamide, 2-amino-3-fluoro(9CI) is used as a pharmaceutical intermediate for the development of various biologically active molecules. Its unique structure and properties contribute to the creation of new drugs with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, Benzamide, 2-amino-3-fluoro(9CI) serves as a building block for synthesizing a wide range of compounds with diverse chemical and biological properties. Its versatility as a synthetic precursor is highly valued in the chemical industry.
Used in Enzyme Inhibition Studies:
Benzamide, 2-amino-3-fluoro(9CI) has been studied as a potential inhibitor of certain enzymes. Its ability to modulate enzyme activity makes it a candidate for the development of drugs targeting specific enzymatic pathways in various diseases.
Used in Medicinal Chemistry for Fluorine Incorporation:
As a source of fluorine, Benzamide, 2-amino-3-fluoro(9CI) is utilized in medicinal chemistry to incorporate fluorine atoms into drug molecules. The presence of fluorine can significantly alter the pharmacokinetic and pharmacodynamic properties of a compound, potentially enhancing its efficacy and safety profile.

Check Digit Verification of cas no

The CAS Registry Mumber 187805-54-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,7,8,0 and 5 respectively; the second part has 2 digits, 5 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 187805-54:
(8*1)+(7*8)+(6*7)+(5*8)+(4*0)+(3*5)+(2*5)+(1*4)=175
175 % 10 = 5
So 187805-54-5 is a valid CAS Registry Number.

187805-54-5SDS

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 2-Amino-3-fluorobenzamide

1.2 Other means of identification

Product number -
Other names BENZAMIDE,2-AMINO-3-FLUORO

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:187805-54-5 SDS

187805-54-5Downstream Products

187805-54-5Relevant articles and documents

Acid-Catalyzed Synthesis of Isatoic Anhydride-8-Secondary Amides Enables IASA Transformations for Medicinal Chemistry

Gondi, Sudershan R.,Shaik, Althaf,Westover, Kenneth D.

, p. 125 - 136 (2022/01/12)

Quinazolin-dione-N-3-alklyl derivatives are the core scaffolds for several categories of bioactive small molecules, but current synthetic methods are costly, involve environmental hazards, and are not uniformly scalable. Here, we report an inexpensive, flexible, and scalable method for the one-pot synthesis of substituted quinazolin-dione-N-3-alkyls (isomers of isatoic-8-secondary amides (IASAs)) from isatin that take advantage of in situ capture of imidic acid under acidic conditions. We further show that this method can be used for the synthesis of a wide variety of derivatives with medicinal uses.

Tunable Electrosynthesis of Anthranilic Acid Derivatives via a C-C Bond Cleavage of Isatins

Qian, Peng,Liu, Jiaojiao,Zhang, Yan,Wang, Zhiyong

, p. 16008 - 16015 (2021/07/31)

A facile and direct electrocatalytic C-C bond cleavage/functionalization reaction of isatins was developed. With isatins as the amino-attached C1 sources, a variety of aminobenzoates, and aminobenzamides were synthesized in moderate to good yields under mild conditions.

Oxidative ring-opening of isatins for the synthesis of 2-aminobenzamides and 2-aminobenzoates

Wang, Yu-Wei,Zheng, Lei,Jia, Feng-Cheng,Chen, Yun-Feng,Wu, An-Xin

, p. 1497 - 1503 (2019/02/13)

An efficient and practical isatin-based oxidative domino protocol has been developed for the facile synthesis of 2-aminobenzamides and 2-aminobenzoates. The robust nature of this reaction system is reflected by accessible starting materials, room temperature and high-yield gram-scale synthesis.

NITROGEN CONTAINING BICYCLIC DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS

-

Paragraph 0113; 0114, (2018/07/06)

The present invention relates to new compounds of formula (I): showing great affinity and activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels or dual activity towards the subunit α2δ of voltage-gated calcium channels (VGCC), especially the α2δ-1 subunit of voltage-gated calcium channels, and the noradrenaline transporter (NET).

POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS

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Page/Page column 61, (2018/07/29)

The present invention is related to a pharmaceutical composition comprising a pharmaceutically acceptable carrier or diluent and a compound represented by the following structural formula: The present invention is also related a method of treating a subject with a disease which can be ameliorated by inhibition of poly(ADP-ribose)polymerase (PARP). The definitions of the variables are provided herein.

QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF

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Page/Page column 49, (2012/03/12)

Provided herein are quinazoline compounds for treatment of JAK kinase mediated diseases, including JAK2 kinase-, JAK3 kinase- or TYK2 kinase-mediated diseases. Also provided are pharmaceutical compositions comprising the compounds and methods of using the compounds and compositions.

Synthesis and biological evaluation of 4-quinazolinones as Rho kinase inhibitors

Fang, Xingang,Chen, Yen Ting,Sessions, E. Hampton,Chowdhury, Sarwat,Vojkovsky, Tomas,Yin, Yan,Pocas, Jennifer R.,Grant, Wayne,Schr?ter, Thomas,Lin, Li,Ruiz, Claudia,Cameron, Michael D.,Lograsso, Philip,Bannister, Thomas D.,Feng, Yangbo

, p. 1844 - 1848 (2011/05/05)

Rho kinase (ROCK) is an attractive therapeutic target for various diseases including glaucoma, hypertension, and spinal cord injury. Herein, we report the development of a series of ROCK-II inhibitors based on 4-quinazolinone and quinazoline scaffolds. SAR studies at three positions of the quinazoline core led to the identification of analogs with high potency against ROCK-II and good selectivity over protein kinase A (PKA).

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