(3-Phenyl-1-adamantyl)acetic acid

Base Information

• Chemical Name: (3-Phenyl-1-adamantyl)acetic acid
• CAS No.: 161036-56-2
• Molecular Formula: C₁₈H₂₂O₂
• Molecular Weight: 270.371
• DSSTox Substance ID: DTXSID90377915
• Mol file: 161036-56-2.mol

Synonyms:(3-Phenyl-1-adamantyl)acetic acid;161036-56-2;2-(3-phenyl-1-adamantyl)acetic Acid;F1924-0037;SCHEMBL2948683;3-Phenyl-l-adamantaneacetic acid;DTXSID90377915;HUDYINFVSMWUNU-UHFFFAOYSA-N;AKOS002234804;AKOS016128191;AB87314;2-(3-PHENYLADAMANTAN-1-YL)ACETIC ACID;EN300-297482;SR-01000282191;SR-01000282191-1

Chemical Property of (3-Phenyl-1-adamantyl)acetic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.99930
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 394

Purity/Quality:

99% ^*data from raw suppliers

(3-Phenyl-1-adamantyl)aceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)CC(=O)O

Technology Process of (3-Phenyl-1-adamantyl)acetic acid

There total 6 articles about (3-Phenyl-1-adamantyl)acetic acid 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: 95.0%

(3-bromo-1-adamantyl)acetic acid (17768-34-2) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 3-phenyl-1-tricyclo[3.3.1.13,7]decaneacetic acid (161036-56-2)

Guidance literature:

With aluminum (III) chloride; at 100 - 130 ℃; Microwave irradiation;

DOI:10.1016/j.bmc.2012.12.001

Reference yield:

methyl (3-phenyl-1-adamantyl)acetate (175721-57-0) + sodium hydrogencarbonate (144-55-8) → 3-phenyl-1-tricyclo[3.3.1.13,7]decaneacetic acid (161036-56-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

Reference yield:

3-phenyl-1-tricyclo[3.3.1.13,7]decaneacetonitrile → 3-phenyl-1-tricyclo[3.3.1.13,7]decaneacetic acid (161036-56-2)

Guidance literature:

With potassium hydroxide; In ethylene glycol; at 140 - 150 ℃; for 24h;

DOI:10.1039/c6md00035e

upstream raw materials:

methyl (3-phenyl-1-adamantyl)acetate

sodium hydrogencarbonate

(adamant-1-yl)-acetic acid

(3-bromo-1-adamantyl)acetic acid