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Atomfair 2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione C8H12BNO4 CAS 1104637-36-6

2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS No. 1104637-36-6) is a high-purity boron-containing heterocyclic compound with the molecular formula C8H12BNO4. This specialized chemical is designed for advanced research applications, particularly in the fields of organic synthesis, catalysis, and materials science. Its unique dioxazaborocane structure, featuring a cyclopropyl and methyl substituent, offers distinct reactivity and stability for tailored chemical transformations. Each batch undergoes rigorous quality control, including HPLC and NMR analysis, to ensure ≥95% purity (custom purifications available upon request). Packaged under inert gas in amber glass vials to prevent degradation, this compound is ideal for researchers requiring precise and reproducible results. Technical data sheets and…

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Description

2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione (CAS No. 1104637-36-6) is a high-purity boron-containing heterocyclic compound with the molecular formula C8H12BNO4. This specialized chemical is designed for advanced research applications, particularly in the fields of organic synthesis, catalysis, and materials science. Its unique dioxazaborocane structure, featuring a cyclopropyl and methyl substituent, offers distinct reactivity and stability for tailored chemical transformations. Each batch undergoes rigorous quality control, including HPLC and NMR analysis, to ensure ≥95% purity (custom purifications available upon request). Packaged under inert gas in amber glass vials to prevent degradation, this compound is ideal for researchers requiring precise and reproducible results. Technical data sheets and certificates of analysis are provided with every order.

Properties

  • CAS Number: 1104637-36-6
  • Complexity: 246
  • IUPAC Name: 2-cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
  • InChI: InChI=1S/C8H12BNO4/c1-10-4-7(11)13-9(6-2-3-6)14-8(12)5-10/h6H,2-5H2,1H3
  • InChI Key: LLXFTRDFBQZFSN-UHFFFAOYSA-N
  • Exact Mass: 197.0859380
  • Molecular Formula: C8H12BNO4
  • Molecular Weight: 197.00
  • SMILES: B1(OC(=O)CN(CC(=O)O1)C)C2CC2
  • Topological: 55.8
  • Monoisotopic Mass: 197.0859380
  • Synonyms: 1104637-36-6, 2-Cyclopropyl-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione, DTXSID90657623, DTXCID50608373, 959-478-2, Cyclopropylboronic acid MIDA ester, Cyclopropylboronic acid methyliminodiacetic acid anhydride, MFCD11215247, SCHEMBL22766212, LLXFTRDFBQZFSN-UHFFFAOYSA-N, AKOS016004295, AC-33871, AS-55780, Cyclopropylboronic acid MIDA ester, 97%, SY279658, EN300-251086, N12127, A1-24359, Cyclopropylboronic acid methyliminodiacetic acid anhydride, 1313614-52-6

Application

This compound serves as a versatile intermediate in the synthesis of boron-doped organic frameworks and pharmaceutical precursors. Researchers utilize its unique structure to develop novel catalysts for asymmetric synthesis and polymerization reactions. Its stability under acidic conditions makes it valuable for designing advanced materials with tailored electronic properties.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2A (100%)
  • STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

By purchasing, the buyer agrees to:

  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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