Description

N-Boc-(2′-Chlorophenyl)glycine (CAS No. 313490-25-4) is a high-purity, Boc-protected amino acid derivative with the molecular formula C₁₃H₁₆ClNO₄. This compound, also known as 2-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid, is a versatile building block in organic synthesis and peptide chemistry. The tert-butoxycarbonyl (Boc) protecting group ensures stability during reactions while allowing selective deprotection under mild acidic conditions. With a molecular weight of 285.72 g/mol, this white to off-white crystalline powder is ideal for researchers developing pharmaceuticals, agrochemicals, or specialty materials. Our product is rigorously tested for purity (typically ≥95% by HPLC) and is supplied with comprehensive analytical data, including ¹H NMR and LC-MS spectra. Store in a cool, dry place at 2-8°C under inert atmosphere for maximum shelf life.

Properties

• CAS Number: 313490-25-4
• Complexity: 340
• IUPAC Name: 2-(tert-butoxycarbonylamino)-2-(2-chlorophenyl)acetic acid
• InChI: InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15-10(11(16)17)8-6-4-5-7-9(8)14/h4-7,10H,1-3H3,(H,15,18)(H,16,17)
• InChI Key: XPFJZGJBRMTXCE-UHFFFAOYSA-N
• Exact Mass: 285.0767857
• Molecular Formula: C13H16ClNO4
• Molecular Weight: 285.72
• SMILES: CC(C)(C)OC(=O)NC(C1=CC=CC=C1Cl)C(=O)O
• Topological: 75.6
• Monoisotopic Mass: 285.0767857
• Synonyms: 313490-25-4, N-Boc-(2′-Chlorophenyl)glycine, DTXSID10373530, DTXCID10324562, 2-((tert-Butoxycarbonyl)amino)-2-(2-chlorophenyl)acetic acid, tert-Butoxycarbonylamino-(2-chloro-phenyl)-acetic acid, 2-(2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic Acid, [(tert-butoxycarbonyl)amino](2-chlorophenyl)acetic acid, 2-{[(tert-butoxy)carbonyl]amino}-2-(2-chlorophenyl)acetic acid, t-butoxycarbonylamino-(2-chlorophenyl)-acetic acid, MFCD03426362, 2-Chloro-a-(Boc-amino)-benzeneacetic acid, SCHEMBL798297, XPFJZGJBRMTXCE-UHFFFAOYSA-N, 2-((tert-Butoxycarbonyl)amino)-2-(2-chlorophenyl)aceticacid, AKOS013464450, AB14846, AB14848, AC-9195, AS-69550, DB-031712, CS-0154465, EN300-317201

Application

N-Boc-(2′-Chlorophenyl)glycine serves as a crucial intermediate in peptide synthesis, particularly for introducing chlorophenyl-modified amino acids into bioactive sequences. Pharmaceutical researchers utilize this compound to develop novel drug candidates with enhanced binding properties, especially in CNS-targeting therapies. The chlorophenyl moiety contributes to increased lipophilicity and potential receptor interactions, while the Boc protection allows for orthogonal deprotection strategies in solid-phase peptide synthesis.

Safety and Hazards

GHS Hazard Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (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.