Atomfair

Awaiting product image

Atomfair Methyl 4-((1S)-1-aminoethyl)benzoate C10H13NO2 CAS 222714-37-6

Methyl 4-((1S)-1-aminoethyl)benzoate (CAS No. 222714-37-6) is a high-purity chiral compound with the molecular formula C10H13NO2. This benzoate derivative features a stereogenic center at the 1-position of the ethylamine side chain, making it a valuable building block for asymmetric synthesis and pharmaceutical research. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. Its well-defined structure, characterized by FTIR, NMR, and mass spectrometry, makes it ideal for use in medicinal chemistry, peptidomimetics, and ligand design. Packaged under inert gas to enhance stability, this product is suited for researchers requiring precise chiral…

Category:

Description

Methyl 4-((1S)-1-aminoethyl)benzoate (CAS No. 222714-37-6) is a high-purity chiral compound with the molecular formula C10H13NO2. This benzoate derivative features a stereogenic center at the 1-position of the ethylamine side chain, making it a valuable building block for asymmetric synthesis and pharmaceutical research. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for demanding applications. Its well-defined structure, characterized by FTIR, NMR, and mass spectrometry, makes it ideal for use in medicinal chemistry, peptidomimetics, and ligand design. Packaged under inert gas to enhance stability, this product is suited for researchers requiring precise chiral intermediates.

Properties

  • CAS Number: 222714-37-6
  • Complexity: 174
  • IUPAC Name: methyl 4-[(1S)-1-aminoethyl]benzoate
  • InChI: InChI=1S/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1
  • InChI Key: XSYGLHLLQZGWPT-ZETCQYMHSA-N
  • Exact Mass: 179.094628657
  • Molecular Formula: C10H13NO2
  • Molecular Weight: 179.22
  • SMILES: C[C@@H](C1=CC=C(C=C1)C(=O)OC)N
  • Topological: 52.3
  • Monoisotopic Mass: 179.094628657
  • Synonyms: 222714-37-6, methyl 4-[(1S)-1-aminoethyl]benzoate, DTXSID40590819, Methyl 4-((1S)-1-aminoethyl)benzoate, DTXCID40541583, 807-740-0, (S)-Methyl 4-(1-aminoethyl)benzoate, (S)-4-(1-AMINO-ETHYL)-BENZOIC ACID METHYL ESTER, MFCD06762070, methyl (S)-4-(1-aminoethyl)benzoate, 4-[(1S)-1-Aminoethyl]benzoic acid methyl ester, SCHEMBL881385, XSYGLHLLQZGWPT-ZETCQYMHSA-N, CS-B0176, (S)-Methyl4-(1-aminoethyl)benzoate, BBL100464, STL554258, AKOS006237871, AKOS015852179, FS-3553, Methyl-4-[(1S)-1-aminoethyl] benzoate, EN300-54984, 4-[(1S)-1-Aminoethyl]-benzoic acid methyl ester, AU-004/43509236, 4-[(1S)-1-aminoethyl]-benzoic acid, methyl ester, A1-01704

Application

Methyl 4-((1S)-1-aminoethyl)benzoate serves as a key chiral synthon in the synthesis of biologically active compounds, particularly for beta-lactam antibiotics and enzyme inhibitors. Its enantiopure structure facilitates the development of stereoselective catalysts and ligands for asymmetric hydrogenation reactions. Researchers also utilize it to introduce chiral benzoyl motifs into peptide backbones for conformational studies.

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]
  • H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
  • H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

  • P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501

Hazard Classes and Categories

  • Acute Tox. 4 (100%)
  • Acute Tox. 4 (100%)
  • Skin Corr. 1B (100%)
  • Acute Tox. 4 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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.

Reviews

There are no reviews yet.

Only logged in customers who have purchased this product may leave a review.

Related products