Cas no 4570-41-6 (1,3-benzoxazol-2-amine)

1,3-Benzoxazol-2-amine is a heterocyclic organic compound featuring a benzoxazole core with an amine substituent at the 2-position. This structure imparts versatility in synthetic applications, particularly as a building block in pharmaceuticals, agrochemicals, and material science. Its aromatic system and electron-rich nitrogen and oxygen atoms enhance reactivity, enabling use in coupling reactions and as a ligand in coordination chemistry. The compound’s stability under various conditions and compatibility with further functionalization make it valuable for developing biologically active molecules, including potential antimicrobial and antitumor agents. High purity grades ensure consistent performance in research and industrial processes.
1,3-benzoxazol-2-amine structure
1,3-benzoxazol-2-amine structure
Product Name:1,3-benzoxazol-2-amine
CAS No:4570-41-6
MF:C7H6N2O
MW:134.13534116745
MDL:MFCD00182850
CID:45175
PubChem ID:20707
Update Time:2025-05-20

1,3-benzoxazol-2-amine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzoxazol-2-amine
    • 2-Aminobenzoxazole
    • Benzooxazol-2-ylamine
    • benzoxazol-2-amine
    • 1,3-benzoxazol-2-amine(SALTDATA: FREE)
    • BENZO[D]OXAZOL-2-AMINE
    • 2-Benzoxazolamine
    • BENZOXAZOLE, 2-AMINO-
    • benzoxazole-2-ylamine
    • benzoxazole, 2-amino
    • aminobenzoxazole
    • 2-aminobenzoxazol
    • NSC26184
    • 2-iminobenzoxazoline
    • 2-amino-benzoxazole
    • 2-amino benzoxazole
    • Benzoxazol-2-ylamine
    • benzooxazole-2-ylamine
    • PubChem17695
    • Oprea1_837906
    • Oprea1_111354
    • 1,3-Benzoxazol-2-amine #
    • WLN: T56 BN
    • HMS1749G10
    • PS-5093
    • MFCD00182850
    • FT-0635364
    • 2-Aminobenzoxazole, >=97.0%
    • WLN: T56 BN DOJ CZ
    • NSC-26184
    • 2-Aminobenzoxazole, 97%
    • Z57069972
    • EN300-13059
    • F1905-6581
    • A826879
    • CS-W007637
    • 2-Benzoxazolamine; 1,3-Benzoxazol-2-amine
    • AI3-63115
    • SCHEMBL95021
    • BCP08019
    • W-202807
    • DTXSID90196603
    • BB 0221056
    • 4570-41-6
    • AKOS000321200
    • NS00031555
    • EINECS 224-952-3
    • NSC 26184
    • SY010713
    • STK503591
    • A2774
    • DB-031172
    • DTXCID90119094
    • ALBB-005881
    • 1,3-benzoxazol-2-amine
    • MDL: MFCD00182850
    • Inchi: 1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
    • InChI Key: JPBLHOJFMBOCAF-UHFFFAOYSA-N
    • SMILES: O1C(N)=NC2C=CC=CC1=2
    • BRN: 115981

Computed Properties

  • Exact Mass: 134.04800
  • Monoisotopic Mass: 134.048
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 129
  • 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: 1.5
  • Topological Polar Surface Area: 52
  • Surface Charge: 0
  • Tautomer Count: 2

Experimental Properties

  • Density: 1.2296 (rough estimate)
  • Melting Point: 128.0 to 132.0 deg-C
  • Boiling Point: 278°C at 760 mmHg
  • Flash Point: 121.9°C
  • Refractive Index: 1.5880 (estimate)
  • PSA: 52.05000
  • LogP: 1.99120

1,3-benzoxazol-2-amine Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H302-H315-H319-H335
  • Warning Statement: P261-P305 + P351 + P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 22-36/37/38-52
  • Safety Instruction: 26
  • RTECS:DM4500000
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:2-8°C

1,3-benzoxazol-2-amine Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1,3-benzoxazol-2-amine Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4570-41-6)Benzo[d]oxazol-2-amine
Order Number:LE17938
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:17
Price ($):discuss personally

Additional information on 1,3-benzoxazol-2-amine

Recent Advances in the Study of 1,3-Benzoxazol-2-amine (CAS: 4570-41-6) and Its Applications in Chemical Biology and Medicine

1,3-Benzoxazol-2-amine (CAS: 4570-41-6) is a heterocyclic compound that has garnered significant attention in the field of chemical biology and medicinal chemistry due to its versatile pharmacological properties. Recent studies have explored its potential as a scaffold for drug development, particularly in the areas of antimicrobial, anticancer, and anti-inflammatory therapies. This research brief synthesizes the latest findings on this compound, highlighting its molecular mechanisms, synthetic pathways, and therapeutic applications.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated that 1,3-benzoxazol-2-amine derivatives exhibit potent inhibitory effects against bacterial pathogens, including methicillin-resistant Staphylococcus aureus (MRSA). The researchers utilized a structure-activity relationship (SAR) approach to optimize the compound's efficacy, leading to the identification of several analogs with enhanced antibacterial activity. These findings underscore the potential of 1,3-benzoxazol-2-amine as a lead compound for developing novel antibiotics.

In the realm of oncology, a recent preprint on bioRxiv revealed that 1,3-benzoxazol-2-amine derivatives can selectively target cancer cells by modulating key signaling pathways, such as the PI3K/AKT/mTOR axis. The study employed high-throughput screening and molecular docking simulations to identify the most promising candidates, which showed significant cytotoxicity against breast and lung cancer cell lines. These results suggest that further preclinical studies are warranted to evaluate the compound's potential as an anticancer agent.

Another area of interest is the compound's anti-inflammatory properties. A 2024 paper in European Journal of Pharmacology reported that 1,3-benzoxazol-2-amine derivatives effectively suppress the production of pro-inflammatory cytokines, such as TNF-α and IL-6, in murine models of rheumatoid arthritis. The study highlighted the compound's ability to inhibit NF-κB signaling, a critical pathway in inflammation, thereby offering a promising avenue for developing new anti-inflammatory drugs.

From a synthetic chemistry perspective, recent advancements have focused on improving the yield and scalability of 1,3-benzoxazol-2-amine production. A 2023 study in Organic Process Research & Development introduced a novel catalytic system that significantly reduces reaction times and byproduct formation. This innovation could facilitate the large-scale synthesis of the compound, making it more accessible for further research and development.

In conclusion, 1,3-benzoxazol-2-amine (CAS: 4570-41-6) represents a multifaceted compound with broad applications in chemical biology and medicine. Its antimicrobial, anticancer, and anti-inflammatory properties, coupled with advancements in synthetic methodologies, position it as a valuable candidate for future drug discovery efforts. Ongoing research is expected to uncover additional therapeutic potentials and optimize its pharmacological profile for clinical translation.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:4570-41-6)Benzo[d]oxazol-2-amine
LE17938
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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