3-Adamantanecarboxylic acid, phenyl ester

Base Information

Chemical Name:3-Adamantanecarboxylic acid, phenyl ester
CAS No.:35856-79-2
Molecular Formula:C17H20O2
Molecular Weight:256.345
Hs Code.:
DSSTox Substance ID:DTXSID00189405
Nikkaji Number:J73.392J
Wikidata:Q83061486
Mol file:35856-79-2.mol

Synonyms:Phenyl 3-adamantanecarboxylate;3-ADAMANTANECARBOXYLIC ACID, PHENYL ESTER;35856-79-2;BRN 1885056;phenyl adamantane-1-carboxylate;phenyl adamantanecarboxylate;SCHEMBL1634162;Phenyl 1-adamantanecarboxylate #;DTXSID00189405;NYEFYOIDZWYVAM-UHFFFAOYSA-N;1-Adamantanecarboxylic acid phenyl ester;1-Adamantanecarboxylic acid, phenyl ester

Suppliers and Price of 3-Adamantanecarboxylic acid, phenyl ester

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
Packaging
price

Total 2 raw suppliers

Chemical Property of 3-Adamantanecarboxylic acid, phenyl ester

Chemical Property:

Vapor Pressure:1.96E-05mmHg at 25°C
Boiling Point:362.2°Cat760mmHg
Flash Point:122.9°C
Density:1.179g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:256.146329876
Heavy Atom Count:19
Complexity:326

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C(=O)OC4=CC=CC=C4

Technology Process of 3-Adamantanecarboxylic acid, phenyl ester

There total 6 articles about 3-Adamantanecarboxylic acid, phenyl ester 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: 86.0%

: 2094-72-6
1-Adamantanecarbonyl chloride

: 108-95-2,27073-41-2
phenol

: 35856-79-2
(3r,5r,7r)-phenyl adamantane-1-carboxylate

Guidance literature:: With pyridine; dmap; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;
DOI:10.1021/jacs.8b09191

Reference yield: 76.0%

: 2094-72-6
1-Adamantanecarbonyl chloride

: 35856-79-2
(3r,5r,7r)-phenyl adamantane-1-carboxylate

: 31919-47-8
1-benzoyladamantane

Guidance literature:: With cuprous halogenide; In diethyl ether; for 1h; Heating;

Reference yield: 65.0%

: 591-50-4
iodobenzene

: 828-51-3
1-Adamantanecarboxylic acid

: 35856-79-2
(3r,5r,7r)-phenyl adamantane-1-carboxylate

Guidance literature:: With palladium(II) trifluoroacetate; 4,7-dimethoxy-1,10-phenanthroline; silver trifluoroacetate; at 150 ℃; for 15h; chemoselective reaction; Schlenk technique; Sealed tube;
DOI:10.1002/adsc.201901136