2,2-Dimethoxyadamantane

Base Information

• Chemical Name: 2,2-Dimethoxyadamantane
• CAS No.: 52776-45-1
• Molecular Formula: C12H20O2
• Molecular Weight: 196.29
• Hs Code.: 2911000000
• DSSTox Substance ID: DTXSID00465756
• Nikkaji Number: J1.384.504B
• Wikidata: Q72467572
• Mol file: 52776-45-1.mol

Synonyms:2,2-dimethoxyadamantane;52776-45-1;SCHEMBL6160966;DTXSID00465756;KBYRBNQCLOUQTN-UHFFFAOYSA-N;AKOS006284189;AKOS015917960

Chemical Property of 2,2-Dimethoxyadamantane

Chemical Property:

• Melting Point: 184℃
• Boiling Point: 245.3±13.0℃ (760 Torr)
• Flash Point: 83.8±19.4℃
• PSA: 18.46000
• Density: 1.05±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 2.43160
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Dimethoxyadamantane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1(C2CC3CC(C2)CC1C3)OC

Technology Process of 2,2-Dimethoxyadamantane

There total 5 articles about 2,2-Dimethoxyadamantane 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%

2-Adamantanone (700-58-3) + trimethyl orthoformate (149-73-5) → 2,2-dimethoxyadamantane (52776-45-1)

Guidance literature:

DOI:10.1021/jo991745u

Reference yield: 40.0%

2-Adamantanone (700-58-3) + ethanol (64-17-5) → 2,2-dimethoxyadamantane (52776-45-1)

Guidance literature:

for 1.5h; Irradiation;

Reference yield:

methanol (67-56-1) + adamantanone Nβ-[2'-(methylthio)adamantyl(2')-thio]-methylenehydrazone (97129-83-4) → 2,2-dimethoxyadamantane (52776-45-1)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1016/S0040-4039(00)98510-1

upstream raw materials:

methanol

adamantanone N^β-[2'-(methylthio)adamantyl(2')-thio]-methylenehydrazone

2-Adamantanone

ethanol

Downstream raw materials:

2-Adamantanone

(R)-4-[(phenylthio)methyl]-2-(2-spiroadamantyl)-1,3-dioxolane

[2-(spiro[adamantan-2,2'-[1,3]dioxan]-4'-yl)ethyl] p-toluenesulfonate

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