2-adamantyl Chloroformate

Base Information

• Chemical Name: 2-adamantyl Chloroformate
• CAS No.: 53120-53-9
• Molecular Formula: C11H15ClO2
• Molecular Weight: 214.692
• DSSTox Substance ID: DTXSID20446845
• Nikkaji Number: J1.898.700G
• Mol file: 53120-53-9.mol

Synonyms:2-adamantyl Chloroformate;53120-53-9;2-adamantyl carbonochloridate;2-Adamantylchloroformate;2-adarnantylchloroformate;2-adamantanyl chloroformate;2-adamantyloxycarbonyl chloride;SCHEMBL1033337;DTXSID20446845;WUVZDJSSAGWPIE-UHFFFAOYSA-N;Chloroformic acid 2-adamantyl ester;tricyclo[3.3.1.13,7 ]dec-2-yl carbonchloridate

Chemical Property of 2-adamantyl Chloroformate

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.0760574
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)C3OC(=O)Cl

Technology Process of 2-adamantyl Chloroformate

There total 4 articles about 2-adamantyl Chloroformate 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%

bis(trichloromethyl) carbonate (32315-10-9) + 1-adamantanol (700-57-2) → 2-adamantyl chloroformate (53120-53-9)

Guidance literature:

With pyridine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jm00105a062

Reference yield: 98.2%

→ 2-adamantyl chloroformate (53120-53-9)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 25 ℃; for 13h;

Reference yield:

phosgene (75-44-5) + 1-adamantanol (700-57-2) → 2-adamantyl chloroformate (53120-53-9)

Guidance literature:

With pyridine; In dichloromethane; toluene; at -20 - 20 ℃;

DOI:10.1016/j.bmcl.2005.03.023

upstream raw materials:

bis(trichloromethyl) carbonate

1-adamantanol

phosgene

Downstream raw materials:

N-<(2-adamantyloxy)carbonyl>-DL-α-methyl-3-phenylalanine

tricyclo[3.3.1.13,7 ]dec-2-yl [1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-[(2-phenylethyl)amino]-ethyl]carbamate

methyl-(+/-)-β-<(phenylmethoxy)carbonyl>-β-<<(tricycl<3.3.1.1>dec-2-yloxy)carbonyl>amino>-1H-indole-3-butanoate

benzyl-(+/-)-β-<<2-(trimethylsilyl)ethoxy>carbonyl>-β-<<(tricyclo<3.3.1.1>dec-2-yloxy)carbonyl>amino>-1H-3-butanoate