Description

4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid (CAS No. 77716-11-1) is a high-purity, Boc-protected pyrrole derivative widely used in organic synthesis and pharmaceutical research. With the molecular formula C₁₁H₁₆N₂O₄, this compound serves as a versatile intermediate for the construction of complex heterocycles, peptidomimetics, and bioactive molecules. The tert-butoxycarbonyl (Boc) protecting group ensures stability during synthetic transformations while allowing selective deprotection under mild acidic conditions. This product is rigorously tested for quality, with HPLC and NMR analysis confirming ≥95% purity, making it ideal for demanding applications in medicinal chemistry and drug discovery. Supplied as a white to off-white crystalline powder, it is packaged under inert conditions to ensure long-term stability.

Properties

• CAS Number: 77716-11-1
• Complexity: 311
• IUPAC Name: 4-(tert-butoxycarbonylamino)-1-methyl-pyrrole-2-carboxylic acid
• InChI: InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
• InChI Key: GOLAEMFBWAIGRX-UHFFFAOYSA-N
• Exact Mass: 240.11100700
• Molecular Formula: C11H16N2O4
• Molecular Weight: 240.26
• SMILES: CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)O)C
• Topological: 80.6
• Monoisotopic Mass: 240.11100700
• Synonyms: 4-(boc-amino)-1-methyl-1h-pyrrole-2-carboxylic acid, 673-963-3, 77716-11-1, 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid, 4-tert-Butoxycarbonylamino-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(tert-butoxycarbonyl)amino]-1-methyl-1h-pyrrole-2-carboxylic acid, 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid, 4-(tert-butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxylic acid, 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid, MFCD02094544, 4-{[(tert-butoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(tert-butoxy)carbonylamino]-1-methylpyrrole-2-carboxylic acid, Maybridge1_008798, Oprea1_532277, SCHEMBL1845748, HMS566H20, DTXSID10370847, GOLAEMFBWAIGRX-UHFFFAOYSA-N, 4-[(tert-butoxycarbonyl)amino]-1-methylpyrrole-2-carboxylic acid, 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylicacid, CCG-52621, SBB053096, AKOS015850634, AC-8259, CS-W012807, SY026150, TS-00713, ST50949616, W10740, EN300-6496114, 1-methyl-4-(BOC amino)pyrrole-2-carboxylic acid, SR-01000641841-1, BRD-K37450091-001-01-7, Z1505694027, 4-[(t-butoxycarbonyl)amino]-1-methylpyrrole-2-carboxylic acid, 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid, >=99.0% (HPLC), 4-[(tert-Butoxycarbonyl)amino]-1-methylpyrrole-2carboxylic acid, 4-amino-1-methyl-1h-pyrrole-2-carboxylic acid, 4-boc protected, 4-[[(tert-Butyloxy)carbonyl]- amino]-1-methylpyrrole-2-carboxylic acid, 4-[[(tert-Butyloxy)carbonyl]-amino]-1-methylpyrrole-2-carboxylic acid

Application

4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid is a key building block in the synthesis of pyrrole-containing pharmaceuticals and agrochemicals. Its Boc-protected amino group enables selective functionalization, facilitating the development of protease inhibitors and kinase modulators. Researchers also employ it in peptide mimetics to enhance metabolic stability and bioavailability. The carboxyl moiety allows for further derivatization via amide coupling or esterification, expanding its utility in combinatorial chemistry.

Safety and Hazards

GHS Hazard Statements

• H302 (33.3%): 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 (66.7%): 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 (33.3%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (66.7%)

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