3-Chlorotricyclo[4.3.1.1~3,8~]undecane

Base Information

• Chemical Name: 3-Chlorotricyclo[4.3.1.1~3,8~]undecane
• CAS No.: 27011-47-8
• Molecular Formula: C11H17Cl
• Molecular Weight: 184.709
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID10506028

Synonyms:3-Chlorotricyclo[4.3.1.1~3,8~]undecane;27011-47-8;DTXSID10506028

Chemical Property of 3-Chlorotricyclo[4.3.1.1~3,8~]undecane

Chemical Property:

• Melting Point: 162-163 °C
• Boiling Point: 253.5±9.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.10±0.1 g/cm3(Predicted)
• LogP: 3.58410
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.1018782
• Heavy Atom Count: 12
• Complexity: 185

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CC3CC1CC(C3)C2)Cl

Technology Process of 3-Chlorotricyclo[4.3.1.1~3,8~]undecane

There total 2 articles about 3-Chlorotricyclo[4.3.1.1~3,8~]undecane 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:

methanol (67-56-1) + 1-adamantylmethoxychlorocarbene → 1-adamantanemethanol (770-71-8) + 1-chloromethyladamantane (770-70-7) + homoadamantanyl chloride (27011-47-8) + 3-homoadamantyl-1-methyl ether (21898-92-0)

Guidance literature:

In 1,2-dichloro-ethane; at 25 ℃; for 1h; Further Variations:; Solvents; Product distribution; Photolysis;

DOI:10.1021/ja040146o

Reference yield:

methanol (67-56-1) + 3-homoadamantyloxychlorocarbene → homoadamantanyl chloride (27011-47-8) + 3-homoadamantyl-1-methyl ether (21898-92-0) + 3-Hydroxyhomoadamantan (14504-80-4)

Guidance literature:

In 1,2-dichloro-ethane; at 25 ℃; for 1h; Further Variations:; Solvents; Product distribution; Photolysis;

DOI:10.1021/ja040146o

Reference yield: 93.0%

homoadamantanyl chloride (27011-47-8) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-benzyl(adamantane) (7131-11-5)

Guidance literature:

With aluminium trichloride; at 80 ℃; for 1.25h;

DOI:10.1021/jo00320a023

upstream raw materials:

methanol

Downstream raw materials:

3-Hydroxyhomoadamantan

homoadamantane

3-Homoadamantyllithium

[3,3']Bi[tricyclo[4.3.1.1^3,8]undecyl]

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