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Atomfair tert-Butyl 3-(4-aminophenyl)azetidine-1-carboxylate C14H20N2O2 CAS 916421-36-8

tert-Butyl 3-(4-aminophenyl)azetidine-1-carboxylate (CAS No. 916421-36-8) is a high-purity organic compound with the molecular formula C14H20N2O2. This Boc-protected azetidine derivative features a reactive 4-aminophenyl group, making it a versatile building block for pharmaceutical and agrochemical synthesis. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for quality assurance. Its unique structure enables applications in medicinal chemistry, particularly as an intermediate for kinase inhibitors and other bioactive molecules. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

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Description

tert-Butyl 3-(4-aminophenyl)azetidine-1-carboxylate (CAS No. 916421-36-8) is a high-purity organic compound with the molecular formula C14H20N2O2. This Boc-protected azetidine derivative features a reactive 4-aminophenyl group, making it a versatile building block for pharmaceutical and agrochemical synthesis. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for quality assurance. Its unique structure enables applications in medicinal chemistry, particularly as an intermediate for kinase inhibitors and other bioactive molecules. Proper storage at 2-8°C under inert atmosphere is recommended to maintain stability.

Properties

  • CAS Number: 916421-36-8
  • Complexity: 297
  • IUPAC Name: tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate
  • InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)10-4-6-12(15)7-5-10/h4-7,11H,8-9,15H2,1-3H3
  • InChI Key: XCLKFXTWLPMSFY-UHFFFAOYSA-N
  • Exact Mass: 248.152477885
  • Molecular Formula: C14H20N2O2
  • Molecular Weight: 248.32
  • SMILES: CC(C)(C)OC(=O)N1CC(C1)C2=CC=C(C=C2)N
  • Topological: 55.6
  • Monoisotopic Mass: 248.152477885
  • Synonyms: tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate, 916421-36-8, DTXSID60719121, DTXCID90669867, 898-857-6, MFCD08751348, 4-(1-Boc-3-azetidinyl)aniline, XCLKFXTWLPMSFY-UHFFFAOYSA-N, SCHEMBL10289613, 1-Boc-3-(4-aminophenyl)azetidine, RLB42136, AKOS022172009, SB52178, AS-68718, DA-40570, SY248856, CS-0079166, C77134, tert-butyl3-(4-aminophenyl)azetidine-1-carboxylate, 3-(4-amino-phenyl)-azetidine-1-carboxylic acid tert-butyl ester

Application

This compound serves as a key intermediate in the synthesis of pharmaceutical candidates, particularly those targeting kinase pathways. Researchers utilize its reactive amino group for coupling reactions in drug discovery programs. The Boc-protected azetidine moiety provides strategic advantages in multi-step synthetic routes. It has shown promise in developing treatments for inflammatory diseases and certain cancers. The compound’s stability makes it suitable for both solution-phase and solid-phase synthesis methodologies.

Safety and Hazards

GHS Hazard Statements

  • H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
  • H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
  • 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

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