41031-50-9

Basic information

• Product Name: 2-(1-ADAMANTYL)-4-METHYLPHENOL
• Synonyms: phenol, 4-methyl-2-tricyclo[3.3.1.1~3,7~]dec-1-yl-;2-(AdaMantyl)-4-Methylphenol;2-(1-Adamantyl)-p-cresol;2-(AdaMantan-1-yl)-4-Methylphenol;2-(1-Adamantyl)-4-methylphenol 99%;2-(1-ADAMANTYL)-4-METHYLPHENOL
• CAS NO: 41031-50-9
• Molecular Formula: C₁₇H₂₂O
• Molecular Weight: 242.36
• Product Categories: Organic Building Blocks;Oxygen Compounds;Phenols;Adamantane derivatives
• Mol File: 41031-50-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 128-130 °C(lit.)
• Boiling Point: 359.9 °C at 760 mmHg
• Flash Point: 169.4 °C
• Appearance: White/Powder
• Density: 1.137±0.06 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 1.11E-05mmHg at 25°C
• Refractive Index: 1.603
• Water Solubility: Sparingly Soluble in water (7.8E-3 g/L) (25°C).
• CAS DataBase Reference: 2-(1-ADAMANTYL)-4-METHYLPHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1-ADAMANTYL)-4-METHYLPHENOL(41031-50-9)
• EPA Substance Registry System: 2-(1-ADAMANTYL)-4-METHYLPHENOL(41031-50-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 41031-50-9(Hazardous Substances Data)

Usage

Description

2-(1-ADAMANTYL)-4-METHYLPHENOL is a 2-adamantylphenol derivative, synthesized by the adamantylation of p-cresol with 1-adamantanol. Its structure has been confirmed by 1H and 13C NMR, and it is known for its unique chemical properties and potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
2-(1-ADAMANTYL)-4-METHYLPHENOL is used as a pharmaceutical intermediate for the development of various drugs. Its unique chemical structure allows it to be a key component in the synthesis of different pharmaceutical compounds.
Used in Chemical Synthesis:
2-(1-ADAMANTYL)-4-METHYLPHENOL serves as a suitable starting reagent in the synthesis of various organic compounds. It is used in the synthesis of 2-(1-adamantyl)-4-methylthiophenol, which can have potential applications in the development of new chemical products.
Used in Catalyst Development:
2-(1-ADAMANTYL)-4-METHYLPHENOL may be used in the synthesis of adamantyl-substituted chromium(III) complex, which acts as a catalyst for enantioselective hetero-Diels-Alder reactions. This application highlights its importance in the field of catalysis and organic chemistry.
Used in Research and Development:
Due to its unique structure and properties, 2-(1-ADAMANTYL)-4-METHYLPHENOL can be utilized in research and development for exploring new chemical reactions, synthesis methods, and potential applications in various industries.

InChI:InChI=1/C17H22O/c1-11-2-3-16(18)15(4-11)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14,18H,5-10H2,1H3

Upstream product

• 106-44-5 p-cresol 
• 935-56-8 1-chloroadamantane 
• 768-90-1 1-Adamantyl bromide 
• 768-95-6 1-adamanthanol 

Downstream Products

• 41031-38-3 4-Methyl-2-(1-adamantyl)-cyclohexanol 
• 231963-91-0 3-(adamantan-1-yl)-2-hydroxy-5-methylbenzaldehyde 
• 264626-78-0 N-(3-adamantyl-5-methylsalicylidene)aniline 
• 356764-01-7 N-(3-adamantyl-5-methylsalicylidene)-2'-isopropylaniline 
• 41031-35-0 4-Methyl-2-(1-adamantyl)-cyclohexanon 
• 1221258-26-9 2-(1-adamantyl)-4-methyl-1-(prop-2-ynyloxy)benzene 
• 1068465-95-1 2-(tetramethylcyclopentadienyl)-4-methyl-6-adamantylphenol 
• 1015257-39-2 2-bromo-4-methyl-6-adamantylphenol 
• 1210475-92-5 6-(1-adamantyl)-2-[(dimethylamino)methyl]-4-methylphenol iodomethylate 
• 1436384-00-7 C₅₂H₆₄N₂O₂ 
• 1432474-81-1 (E)-ethyl 3-(3-(adamantan-1-yl))-2-((dimethoxyphosphoryl)oxy)-5-methylphenylacrylate 
• 1432475-00-7 2-(adamantan-1-yl)-4-methylphenyl methyl hydrogen phosphate 
• 1487412-08-7 2-(adamant-1-yl)-4-methyl-6-(chloromethyl)phenol 

Relevant articles and documents

Alkylation of aromatic compounds with 1-bromoadamantane in the presence of metal complex catalysts

Synthesis of aryladamantanes was performed by reaction of 1-bromoadamantane with aromatic compounds in the presence of metal complex catalysts containing Mo, Cr, W, Cu, and Co.

Aluminum salen and salan complexes in the ring-opening polymerization of cyclic esters: Controlled immortal and copolymerization of rac-β- butyrolactone and rac-lactide

Aluminum-based salen and salan complexes mediate the ring-opening polymerization (ROP) of rac-β-butyrolactone (β-BL), rac-lactide, and ε-caprolactone. Al-salen and Al-salan complexes exhibit excellent control over the ROP of rac-β-butyrolactone, yielding atactic poly(3- hydroxybutyrate) (PHB) with narrow PDIs of a linear relationship between molecular weight and percent conversion. These complexes also mediate the immortal ROP of rac-β-BL and rac-lactide, through the addition of excess benzyl alcohol of up to 50 mol eq., with excellent control observed. A novel methyl/adamantyl-substituted Al-salen system further improves control over the ROP of rac-lactide and rac-β-BL, yielding atactic PHB and highly isotactic poly(lactic acid) (Pm = 0.88). Control over the copolymerization of rac-lactide and rac-β-BL was also achieved, yielding poly(lactic acid)-co-poly(3-hydroxybutyrate) with narrow PDIs of 1H NMR spectra of the copolymers indicate a strong bias for the insertion of rac-lactide over rac-β-BL. 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013. Copyright

Synthesis and structures of adamantyl-substituted constrained geometry cyclopentadienyl-phenoxytitanium complexes and their catalytic properties for olefin polymerization

A number of new constrained geometry titanium complexes, [η5: η1-2-C5Me4-4-R-6-Ad- C6H2O]TiCl2 [Ad = adamantyl, R = Me (8), tBu (9)] and [η5: η1-