2-acetyloxy-5-(1-adamantyl)benzoic Acid

Base Information

Chemical Name:2-acetyloxy-5-(1-adamantyl)benzoic Acid
CAS No.:312747-77-6
Molecular Formula:C₁₉H₂₂O₄
Molecular Weight:314.381
Hs Code.:
DSSTox Substance ID:DTXSID80392874
Wikidata:Q82191350
ChEMBL ID:CHEMBL1591626
Mol file:312747-77-6.mol

Synonyms:312747-77-6;2-(acetyloxy)-5-(1-adamantyl)benzoic acid;3-ADAMANTAN-1-YL-6-ACETOXYBENZOIC ACID;2-acetyloxy-5-(1-adamantyl)benzoic Acid;Oprea1_604089;MLS001195165;CHEMBL1591626;DTXSID80392874;SMR000554509;2-acetoxy-5-(adamantan-1-yl)benzoic acid;SR-01000391908;SR-01000391908-1

Suppliers and Price of 2-acetyloxy-5-(1-adamantyl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-acetyloxy-5-(1-adamantyl)benzoic Acid

Chemical Property:

XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:314.15180918
Heavy Atom Count:23
Complexity:470

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)OC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)C(=O)O

Technology Process of 2-acetyloxy-5-(1-adamantyl)benzoic Acid

There total 3 articles about 2-acetyloxy-5-(1-adamantyl)benzoic 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: 92.0%

: 108-24-7
acetic anhydride

: 126145-51-5
5-(adamantan-1-yl)-2-hydroxybenzoic acid

: 312747-77-6
2-acetoxy-5-(adamantan-1-yl)benzoic acid

Guidance literature:: With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 1h; Reagent/catalyst; Temperature;
DOI:10.1134/S1070428021070095

Reference yield:

: 768-95-6
1-adamanthanol

: 312747-77-6
2-acetoxy-5-(adamantan-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: trifluoroacetic acid / 6 h / 90 °C

2: trifluorormethanesulfonic acid / dichloromethane / 1 h / 20 °C

With trifluorormethanesulfonic acid; trifluoroacetic acid; In dichloromethane;
DOI:10.1134/S1070428021070095

Reference yield:

: 69-72-7,25496-36-0,8052-31-1
salicylic acid

: 312747-77-6
2-acetoxy-5-(adamantan-1-yl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: trifluoroacetic acid / 6 h / 90 °C

2: trifluorormethanesulfonic acid / dichloromethane / 1 h / 20 °C

With trifluorormethanesulfonic acid; trifluoroacetic acid; In dichloromethane;
DOI:10.1134/S1070428021070095