Cas no 954228-85-4 (N-Benzyl-5-bromo-3-nitropyridin-2-amine)

N-Benzyl-5-bromo-3-nitropyridin-2-amine is a brominated and nitrated pyridine derivative featuring a benzylamine substituent at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both bromo and nitro functional groups enhances its reactivity, enabling selective modifications such as nucleophilic substitutions or catalytic cross-coupling reactions. The benzylamine moiety further contributes to its utility in constructing nitrogen-containing heterocycles. Its well-defined structure and high purity make it suitable for research applications requiring precise molecular scaffolds. The compound is typically handled under controlled conditions due to its sensitivity to light and moisture.

N-Benzyl-5-bromo-3-nitropyridin-2-amine structure

954228-85-4 structure

Product Name:N-Benzyl-5-bromo-3-nitropyridin-2-amine

CAS No:954228-85-4

MF:C₁₂H₁₀BrN₃O₂

MW:308.130701541901

MDL:MFCD09862702

CID:857721

PubChem ID:24903145

Update Time:2025-05-19

N-Benzyl-5-bromo-3-nitropyridin-2-amine Chemical and Physical Properties

Names and Identifiers

- 2-BENZYLAMINO-5-BROMO-3-NITROPYRIDINE
- N-Benzyl-5-bromo-3-nitropyridin-2-amine
- N-Benzyl-5-bromo-3-nitro-2-pyridinamine
- 954228-85-4
- F80218
- 5-Bromo-3-nitro-N-(phenylmethyl)-2-pyridinamine
- BS-23715
- DTXSID80647937
- CS-0211518
- AKOS010477763
- MFCD09862702
- MDL： MFCD09862702
- Inchi： 1S/C12H10BrN3O2/c13-10-6-11(16(17)18)12(15-8-10)14-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,14,15)
- InChI Key： IAWNGUVINRYLKT-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(C(=C1)[N+](=O)[O-])NCC1C=CC=CC=1

Computed Properties

Exact Mass: 306.99600
Monoisotopic Mass: 306.99564g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Heavy Atom Count: 18
Rotatable Bond Count: 4
Complexity: 279
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.7
Topological Polar Surface Area: 70.7?2

Experimental Properties

PSA: 70.74000
LogP: 3.96060

N-Benzyl-5-bromo-3-nitropyridin-2-amine Security Information

Signal Word：warning
Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

N-Benzyl-5-bromo-3-nitropyridin-2-amine Customs Data

HS CODE：2933399090
Customs Data：

China Customs Code:
2933399090

Overview:

2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

Summary:

2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

N-Benzyl-5-bromo-3-nitropyridin-2-amine Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Alichem	A029193087-100g	N-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4	95%	100g	$581.40	2023-08-31
TRC	B625060-1g	n-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4		1g	$ 50.00	2022-06-07
TRC	B625060-5g	n-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4		5g	$ 185.00	2022-06-07
TRC	B625060-10g	n-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4		10g	$ 275.00	2022-06-07
Chemenu	CM172399-100g	N-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4	95%	100g	$533	2021-08-05
Matrix Scientific	091409-1g	N-Benzyl-5-bromo-3-nitropyridin-2-amine, 95+%	954228-85-4	95+%	1g	$227.00	2023-09-08
Matrix Scientific	091409-5g	N-Benzyl-5-bromo-3-nitropyridin-2-amine, 95+%	954228-85-4	95+%	5g	$404.00	2023-09-08
Matrix Scientific	091409-10g	N-Benzyl-5-bromo-3-nitropyridin-2-amine, 95+%	954228-85-4	95+%	10g	$599.00	2023-09-08
Fluorochem	213227-1g	N-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4	95%	1g	￡50.00	2022-02-28
Fluorochem	213227-5g	N-Benzyl-5-bromo-3-nitropyridin-2-amine	954228-85-4	95%	5g	￡150.00	2022-02-28

N-Benzyl-5-bromo-3-nitropyridin-2-amine Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:954228-85-4)N-Benzyl-5-bromo-3-nitropyridin-2-amine

Order Number:A859057

Stock Status:in Stock

Quantity:100g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 08:16

Price ($):767.0

Email:[email protected]

Product Official Link

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Related Categories

Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzylamines 2-benzylaminopyridines

Additional information on N-Benzyl-5-bromo-3-nitropyridin-2-amine

N-Benzyl-5-bromo-3-nitropyridin-2-amine: A Comprehensive Overview

N-Benzyl-5-bromo-3-nitropyridin-2-amine (CAS No. 954228-85-4) is a highly specialized organic compound with significant applications in the fields of pharmaceutical chemistry, materials science, and organic synthesis. This compound is characterized by its unique molecular structure, which combines a pyridine ring with substituents that confer both electronic and steric properties, making it a versatile building block in various chemical reactions.

The molecular structure of N-Benzyl-5-bromo-3-nitropyridin-2-amine consists of a pyridine ring substituted with a benzyl group at the nitrogen atom, a bromine atom at position 5, and a nitro group at position 3. These substituents not only influence the electronic properties of the molecule but also play a critical role in its reactivity and stability. Recent studies have highlighted the importance of such substituted pyridines in heterocyclic chemistry, particularly in the synthesis of bioactive compounds and advanced materials.

One of the most notable applications of this compound is in the field of drug discovery. The presence of the nitro group and bromine atom provides opportunities for further functionalization, enabling researchers to explore its potential as a lead compound in the development of new pharmaceutical agents. For instance, recent research has demonstrated that derivatives of this compound exhibit promising antimicrobial activity, making them candidates for novel antibiotic therapies.

In addition to its pharmaceutical applications, N-Benzyl-5-bromo-3-nitropyridin-2-amine has also found utility in the synthesis of advanced materials. The pyridine ring serves as a robust framework for constructing coordination polymers and metal-organic frameworks (MOFs), which are widely used in catalysis, gas storage, and sensing technologies. Recent advancements in this area have leveraged the unique electronic properties of this compound to design MOFs with enhanced stability and selectivity.

The synthesis of this compound typically involves multi-step reactions that require precise control over reaction conditions to ensure high yields and purity. Common synthetic routes include nucleophilic aromatic substitution and coupling reactions, often utilizing transition metal catalysts to facilitate bond formation. Researchers have recently explored green chemistry approaches to synthesize this compound, focusing on reducing environmental impact while maintaining efficiency.

From a structural perspective, the presence of electron-withdrawing groups like the nitro and bromine atoms significantly influences the reactivity of the pyridine ring. These groups deactivate the ring towards electrophilic substitution but activate it towards nucleophilic attack, making it an ideal substrate for various substitution reactions. Recent studies have also investigated the role of steric effects in determining the regioselectivity of these reactions, providing valuable insights into optimizing synthetic pathways.

In conclusion, N-Benzyl-5-bromo-3-nitropyridin-2-amine (CAS No. 954228-85-4) stands as a testament to the ingenuity of modern organic chemistry. Its unique structure and versatile properties make it an invaluable tool in drug discovery, materials science, and organic synthesis. As research continues to uncover new applications and improve synthetic methods, this compound is poised to play an even more significant role in advancing chemical science.

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