2-Ethyl-2-adamantanol

Base Information

• Chemical Name: 2-Ethyl-2-adamantanol
• CAS No.: 14648-57-8
• Molecular Formula: C12H20O
• Molecular Weight: 180.29
• Hs Code.: 29061990
• DSSTox Substance ID: DTXSID50402878
• Nikkaji Number: J1.092.961J
• Wikidata: Q72472229
• Mol file: 14648-57-8.mol

Synonyms:2-Ethyl-2-adamantanol;14648-57-8;2-ethyladamantan-2-ol;2-Ethyl-2-hydroxyadamantane;Tricyclo[3.3.1.13,7]decan-2-ol, 2-ethyl-;MFCD01837553;2-ethyladamantane-2-ol;SCHEMBL549021;2-Ethyl-2-hydroxytricyclo[3,3,1,1(3,7)])decane;SCHEMBL15922930;DTXSID50402878;AMY11175;AKOS006343242;AKOS015838606;CS-W017184;DS-7809;AC-16095;AC-24310;SY052807;E0659;FT-0637123;F15554;A808514

Chemical Property of 2-Ethyl-2-adamantanol

Chemical Property:

• Vapor Pressure: 0.00126mmHg at 25°C
• Melting Point: 70 °C
• Refractive Index: 1.527
• Boiling Point: 265.5 °C at 760 mmHg
• PKA: 14.99±0.20(Predicted)
• Flash Point: 110.2 °C
• PSA: 20.23000
• Density: 1.045 g/cm³
• LogP: 2.58360
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 180.151415257
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

2-Ethyl-2-adamantanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1(C2CC3CC(C2)CC1C3)O

Technology Process of 2-Ethyl-2-adamantanol

There total 4 articles about 2-Ethyl-2-adamantanol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-Adamantanone (700-58-3) + ethyllithium (811-49-4) → 2-ethyl-2-adamantanol (14648-57-8)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmcl.2008.10.003

Reference yield: 80.0%

2-Adamantanone (700-58-3) + ethylmagnesium bromide (925-90-6) → 1-adamantanol (700-57-2) + 2-ethyl-2-adamantanol (14648-57-8)

Guidance literature:

ethylmagnesium bromide; With (trimethylsilyl)methylmagnesium chloride; lithium chloride; zinc(II) chloride; In tetrahydrofuran; diethyl ether; at 20 ℃;

2-Adamantanone; In tetrahydrofuran; diethyl ether; at 0 ℃; for 3h;

DOI:10.1039/b926243a

Reference yield:

ethylmagnesium iodide (10467-10-4) + 2-Adamantanone (700-58-3) + ethyl iodide (75-03-6) → 1-adamantanol (700-57-2) + 2-ethyl-2-adamantanol (14648-57-8)

Guidance literature:

With magnesium; In tetrahydrofuran;

upstream raw materials:

2-Adamantanone

ethyllithium

ethylmagnesium iodide

ethyl iodide

Downstream raw materials:

2-ethyladamantane

2-ethyladamantan-2-yl methacrylate

N,N,N',N'-tetraethylurea

2-Adamantanone

Refernces

• 1、 Tzitzoglaki, Christina,Drakopoulos, Antonios,Konstantinidi, Athina,Stylianakis, Ioannis,Stampolaki, Marianna,Kolocouris, Antonios. "Approaches to primary tert-alkyl amines as building blocks". . . Retrieved 2019/07/10.
• 2、 Hatano, Manabu,Ito, Orie,Suzuki, Shinji,Ishihara, Kazuaki. "Zinc(ii)-catalyzed Grignard additions to ketones with RMgBr and RMgI". supporting information; experimental part. p. 2674 - 2676. Retrieved 2010/07/08.