3-Methyl-1-adamantanol

Base Information

• Chemical Name: 3-Methyl-1-adamantanol
• CAS No.: 702-81-8
• Molecular Formula: C11H18O
• Molecular Weight: 166.263
• DSSTox Substance ID: DTXSID30399015
• Mol file: 702-81-8.mol

Synonyms:3-METHYL-1-ADAMANTANOL;3-methyladamantan-1-ol;702-81-8;1-oxy-3-methyladamantane;SCHEMBL986398;DTXSID30399015;AKOS001033481;EN300-1655911;Z56783005

Chemical Property of 3-Methyl-1-adamantanol

Chemical Property:

• Melting Point: 130-131℃
• Boiling Point: 245.1 °C at 760 mmHg
• Flash Point: 100.8 °C
• PSA: 20.23000
• Density: 1.139 g/cm³
• LogP: 2.33760
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC3CC(C1)CC(C3)(C2)O

Technology Process of 3-Methyl-1-adamantanol

There total 23 articles about 3-Methyl-1-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: 98.0%

acetate de methyl-3 adamantyl-1 (17768-37-5) → 3-methyl-1-adamantanol (702-81-8)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

Reference yield: 96.0%

1-methyl-adamantane (768-91-2) + trifluoroacetic acid (76-05-1) → 3-methyl-1-adamantanol (702-81-8)

Guidance literature:

1-methyl-adamantane; trifluoroacetic acid; With oxygen; sodium nitrite; at 20 ℃; for 3h;

With hydrogenchloride; Further stages.;

DOI:10.1055/s-2006-950422

Reference yield: 94.0%

1-methyl-adamantane (768-91-2) → 3-methyl-1-adamantanol (702-81-8)

Guidance literature:

With water; bromine; for 1.5h; Ambient temperature;

upstream raw materials:

3,7-dimethylenebicyclo[3.3.1]nonane

2-methyladamantan-2-ol

1-bromo-3-methyladamantane

1-hydroxy-3-iodomethyladamantane

Downstream raw materials:

(3-methyladamantan-1-yl)acetic acid

1-Methyladamantane-3-carboxylic acid

1-acetamido-3-methyltricyclo[3.3.1.1^3,7]decane

3-methyl-1-aminoadamantane

Refernces

• 1、 Klimochkin, Yu. N.,Yudashkin,Zhilkina,Ivleva,Moiseev,Oshis, Ya. F.. "One-pot synthesis of cage alcohols". . p. 971 - 976. Retrieved 2017/09/07.
• 2、 Onomura, Osamu,Yamamoto, Yutaka,Moriyama, Noriaki,Iwasaki, Fumiaki,Matsumura, Yoshihiro. "Efficient oxidation of adamantanes by sodium nitrite with molecular oxygen in trifluoroacetic acid". . p. 2415 - 2418. Retrieved 2008/02/10.