1-Methyladamantane

Base Information

• Chemical Name: 1-Methyladamantane
• CAS No.: 768-91-2
• Molecular Formula: C11H18
• Molecular Weight: 150.264
• Hs Code.: 2902199090
• DSSTox Substance ID: DTXSID80227617
• Nikkaji Number: J283.748J
• Wikidata: Q27118091
• Metabolomics Workbench ID: 56116
• Mol file: 768-91-2.mol

Synonyms:1-Methyladamantane;768-91-2;1-methyl adamantane;methyladamantane;5-methyl-adamantane;Adamantane, 1-methyl-;Tricyclo[3.3.1.1~3,7~]decane, 1-methyl-;CHEBI:39004;DTXSID80227617;MFCD00216215;STL426848;AKOS003369039;AKOS006345764;(3R,5S,7S)-1-METHYLADAMANTANE;1-methyltricyclo[3.3.1.1~3,7~]decane;CS-0061414;FT-0671901;Tricyclo[3.3.1.13,7]decane, 1-methyl-;A19438;W17233;Q27118091

Chemical Property of 1-Methyladamantane

Chemical Property:

• Vapor Pressure: 0.668mmHg at 25°C
• Refractive Index: 1.519
• Boiling Point: 192.8 °C at 760 mmHg
• Flash Point: 55.4 °C
• PSA: 0.00000
• Density: 0.974 g/cm³
• LogP: 3.22270
• Storage Temp.: Refrigerator
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 150.140850574
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

1-MethylAdamantane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3CC(C1)CC(C3)C2
• Uses: Intermediate in the preparation of Amidoadamantanes.

Technology Process of 1-Methyladamantane

There total 44 articles about 1-Methyladamantane 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: 86.5%

1-iodoadamantane (768-93-4) → adamantane (281-23-2) + 1-methyl-adamantane (768-91-2)

Guidance literature:

With methyl magnesium iodide; In dibutyl ether; at 105 ℃;

Reference yield: 46.0%

methylmagnesium bromide (75-16-1) + dibromo-1,3 methyl-5 adamantane (111035-07-5) → 1,3,5-trimethyladamantane (707-35-7) + 1-bromo-3,5,7-trimethyladamantane (53398-55-3) + 1-methyl-adamantane (768-91-2)

Guidance literature:

In dibutyl ether; at 140 ℃;

Reference yield: 33.0%

tetramethylsilane (75-76-3) + 1-adamanthanol (768-95-6) → 1,3-dimethyladamantane (702-79-4) + 1,3,5,7-tetramethyladamantane (1687-36-1) + 1,3,5-trimethyladamantane (707-35-7) + 1-methyl-adamantane (768-91-2)

Guidance literature:

With aluminum tri-bromide; In dichloromethane; at 20 ℃; for 5h;

upstream raw materials:

methanol

(1s,3s)-adamantan-1-yl(phenyl)sulfide

1-Adamantyl bromide

methyl magnesium iodide

Downstream raw materials:

adamantane

3-methyl-1-adamantanol

acetate de methyl-3 adamantyl-1

3-methyl-1-aminoadamantane

Refernces

• 1、 Xu, Shutao,Zheng, Anmin,Wei, Yingxu,Chen, Jingrun,Li, Jinzhe,Chu, Yueying,Zhang, Mozhi,Wang, Quanyi,Zhou, You,Wang, Jinbang,Deng, Feng,Liu, Zhongmin. "Direct observation of cyclic carbenium ions and their role in the catalytic cycle of the methanol-to-olefin reaction over chabazite zeolites". supporting information. p. 11564 - 11568. Retrieved 2013/11/06.
• 2、 Farcasiu, Dan,Ghenciu, Anca,Li, Jing Qi. "The mechanism of conversion of saturated hydrocarbons catalyzed by sulfated metal oxides: Reaction of adamantane on sulfated zirconia". . p. 116 - 127. Retrieved 2007/10/03.