Description

2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide (CAS No. 93951-12-3) is a high-purity specialty chemical with the molecular formula C₂₈H₃₉Cl₂NO₃. This compound, also known by its IUPAC name 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide, is a structurally complex amide derivative featuring tert-pentyl and dichlorophenol moieties. It is supplied as a fine powder or crystalline solid with ≥95% purity (HPLC), ideal for research applications requiring precise chemical intermediates. Suitable for use in organic synthesis, pharmaceutical development, and agrochemical research, this product is rigorously tested for consistency and quality. Store in a cool, dry place under inert conditions to ensure stability.

Properties

• CAS Number: 93951-12-3
• Complexity: 656
• IUPAC Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxy-phenyl)butanamide
• InChI: InChI=1S/C28H39Cl2NO3/c1-9-18-20(29)16-21(25(32)24(18)30)31-26(33)22(10-2)34-23-14-13-17(27(5,6)11-3)15-19(23)28(7,8)12-4/h13-16,22,32H,9-12H2,1-8H3,(H,31,33)
• InChI Key: LFDFDMAPABBGSE-UHFFFAOYSA-N
• Exact Mass: 507.2306995
• Molecular Formula: C28H39Cl2NO3
• Molecular Weight: 508.5
• SMILES: CCC1=C(C=C(C(=C1Cl)O)NC(=O)C(CC)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC)Cl
• Topological: 58.6
• Monoisotopic Mass: 507.2306995
• Synonyms: 2-(2,4-Bis(tert-pentyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide, EINECS 300-634-0, DTXSID10869160, Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-, 2-[2,4-bis(tert-pentyl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butyramide, Butanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-, DTXCID30817183, 300-634-0, 93951-12-3, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)butanamide, SCHEMBL3429177, AKOS015900493, NS00064556, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)] Butanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[(3,5-dichloro-4-ethyl-2-hydroxyphenyl)]Butanamide

Application

This compound serves as a key intermediate in the synthesis of specialized agrochemicals and pharmaceuticals, particularly those targeting chlorinated phenolic frameworks. Researchers utilize it in developing novel herbicides and fungicides due to its unique sterically hindered phenolic structure. It may also find use in material science for designing advanced polymer additives or ligand systems in coordination chemistry.

Safety and Hazards

GHS Hazard Statements

• H413 (92.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 4 (92.7%)

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