Cas no 20876-37-3 (1-Benzyloxy-2-methyl-3-nitrobenzene)

1-Benzyloxy-2-methyl-3-nitrobenzene is a nitroaromatic compound featuring a benzyloxy substituent at the 1-position and a methyl group at the 2-position of the benzene ring. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro group enhances electrophilic properties, facilitating further functionalization, while the benzyloxy moiety offers protective group utility for phenolic hydroxyl groups. Its well-defined molecular architecture ensures consistent performance in multi-step synthetic routes. The compound is typically characterized by high purity and stability under standard storage conditions, making it suitable for research and industrial applications requiring precise chemical transformations.
1-Benzyloxy-2-methyl-3-nitrobenzene structure
20876-37-3 structure
Product Name:1-Benzyloxy-2-methyl-3-nitrobenzene
CAS No:20876-37-3
MF:C14H13NO3
MW:243.257923841476
MDL:MFCD00100652
CID:51682
PubChem ID:24873083
Update Time:2025-10-28

1-Benzyloxy-2-methyl-3-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Benzyloxy-2-methyl-3-nitrobenzene
    • 1-(benzyloxy)-2-methyl-3-nitrobenzene
    • 2-methyl-1-nitro-3-phenylmethoxybenzene
    • 2-benzyloxy-6-nitrotoluene
    • 2-nitro-6-benzyloxytoluene
    • 6-Benzyloxy-2-nitrotoluene
    • 6-Nitro-2-benzyloxy-toluol
    • Benzene, 2-methyl-1-nitro-3-(phenylmethoxy)-
    • NSC158558
    • Maybridge1_002032
    • Oprea1_104390
    • KSC496G7P
    • Benzyl 3-nitro-o-tolyl ether
    • HMS547E08
    • PBSZHNXXFIYDBU-UHFFFAOYSA-N
    • CB
    • A814998
    • AKOS015839411
    • CCG-235236
    • Ethyl4-chloro-5-methyl-7-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
    • 20876-37-3
    • CS-0153506
    • F11590
    • AMY777
    • 3-Nitro-2-Methyl Phenol Benzyl Ether
    • J-013697
    • DS-0847
    • SCHEMBL1141905
    • SY024517
    • 1-Benzyloxy-2-methyl-3-nitrobenzene, 98%
    • DTXSID00303487
    • MFCD00100652
    • FT-0638056
    • 1-(Benzyloxy)-2-methyl-3-nitrobenzene #
    • NSC-158558
    • DB-045417
    • MDL: MFCD00100652
    • Inchi: 1S/C14H13NO3/c1-11-13(15(16)17)8-5-9-14(11)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
    • InChI Key: PBSZHNXXFIYDBU-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC=C(C=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 243.09000
  • Monoisotopic Mass: 243.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 271
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.2
  • Topological Polar Surface Area: 55

Experimental Properties

  • Color/Form: solid
  • Density: 1.202
  • Melting Point: 60-63?°C (lit.)
  • Boiling Point: 382.2℃ at 760 mmHg
  • Flash Point: 165.2°C
  • Refractive Index: 1.595
  • PSA: 55.05000
  • LogP: 4.00540
  • Solubility: Not determined

1-Benzyloxy-2-methyl-3-nitrobenzene Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: 24/25

1-Benzyloxy-2-methyl-3-nitrobenzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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1-Benzyloxy-2-methyl-3-nitrobenzene Production Method

1-Benzyloxy-2-methyl-3-nitrobenzene Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:20876-37-3)1-(Benzyloxy)-2-meth
Order Number:1647280
Stock Status:in Stock
Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:20876-37-3)1-芐氧基-2-甲基-3-硝基苯
Order Number:LE1647280
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:31
Price ($):discuss personally

Additional information on 1-Benzyloxy-2-methyl-3-nitrobenzene

1-Benzyloxy-2-methyl-3-nitrobenzene: A Comprehensive Overview

1-Benzyloxy-2-methyl-3-nitrobenzene, also known by its CAS number 20876-37-3, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a benzyloxy group, a methyl group, and a nitro group attached to a benzene ring. The combination of these functional groups makes it a versatile molecule with potential applications in drug development and material science.

The synthesis of 1-Benzyloxy-2-methyl-3-nitrobenzene typically involves multi-step organic reactions. Recent studies have focused on optimizing the synthesis process to improve yield and reduce environmental impact. For instance, researchers have explored the use of microwave-assisted synthesis and catalytic systems to streamline the production of this compound. These advancements not only enhance the efficiency of the synthesis but also align with the growing demand for sustainable chemical processes.

In terms of applications, 1-Benzyloxy-2-methyl-3-nitrobenzene has shown promise in various fields. In pharmacology, it has been investigated as a potential lead compound for anti-inflammatory and anti-cancer drug development. The nitro group, in particular, is known to exhibit bioactivity, making it a valuable component in medicinal chemistry research. Recent studies have demonstrated that this compound can modulate key cellular pathways involved in inflammation and tumor growth, highlighting its potential therapeutic value.

The structural properties of 1-Benzyloxy-2-methyl-3-nitrobenzene also make it an interesting candidate for material science applications. Its aromatic system and functional groups can contribute to the development of advanced materials such as polymers and sensors. For example, researchers have explored its use as a building block for constructing conjugated polymers with enhanced electronic properties. These materials hold potential for applications in optoelectronics and energy storage technologies.

In addition to its synthetic and application-oriented studies, recent research has also focused on the toxicological profile of 1-Benzyloxy-2-methyl-3-nitrobenzene. Understanding its toxicity is crucial for ensuring safe handling and use in industrial and medical settings. Studies have indicated that while the compound exhibits some cytotoxicity, its effects are context-dependent and influenced by factors such as concentration and exposure duration. Further research is ongoing to fully characterize its safety profile.

The study of 1-Benzyloxy-2-methyl-3-nitrobenzene continues to evolve with advancements in analytical techniques and computational modeling. Modern tools such as nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT) calculations have provided deeper insights into its molecular structure and reactivity. These insights are paving the way for innovative applications in both academic research and industrial settings.

In conclusion, 1-Benzyloxy-2-methyl-3-nitrobenzene, with its CAS number 20876-37-3, stands out as a multifaceted compound with diverse applications across various scientific domains. Its unique structure, coupled with recent advancements in synthesis and application research, positions it as a valuable asset in both academic and industrial contexts. As research continues to uncover new facets of this compound, its potential for contributing to scientific progress remains immense.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:20876-37-3)1-(Benzyloxy)-2-meth
1647280
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:20876-37-3)1-芐氧基-2-甲基-3-硝基苯
LE1647280
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email