Methyl 5-(1-adamantyl)-2-hydroxybenzoate

Base Information

Chemical Name:Methyl 5-(1-adamantyl)-2-hydroxybenzoate
CAS No.:126145-52-6
Molecular Formula:C18H22 O3
Molecular Weight:286.3655
Hs Code.:
DSSTox Substance ID:DTXSID70155091
Wikidata:Q83022774
Mol file:126145-52-6.mol

Synonyms:Methyl 5-(1-adamantyl)-2-hydroxybenzoate;126145-52-6;BRN 4263319;Methyl 5-(adamantyl-1)salicylate;METHYL 3-ADAMANTAN-1-YL-6-HYDROXYBENZOATE;Benzoic acid, 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, methyl ester;Methyl 2-hydroxy-5-tricyclo(3.3.1.1(sup 3,7))dec-1-ylbenzoate;Oprea1_052304;DTXSID70155091;AKOS000124950;NCGC00341352-01;LS-37693;5-(Adamantyl-1)salicylic acid, methyl ester;Methyl 5-(1-adamantyl)-2-hydroxybenzoate #;AB01331880-02;SR-01000391907;SR-01000391907-1;METHYL 5-(ADAMANTAN-1-YL)-2-HYDROXYBENZOATE;Z15887458;F0232-0014;methyl 5-((3r,5r,7r)-adamantan-1-yl)-2-hydroxybenzoate

Suppliers and Price of Methyl 5-(1-adamantyl)-2-hydroxybenzoate

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 Methyl 5-(1-adamantyl)-2-hydroxybenzoate

Chemical Property:

Vapor Pressure:2.74E-07mmHg at 25°C
Boiling Point:409.4°Cat760mmHg
Flash Point:167.1°C
PSA：46.53000
Density:1.22g/cm³
LogP:3.64660
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:286.15689456
Heavy Atom Count:21
Complexity:389

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 5-(1-adamantyl)-2-hydroxybenzoate

There total 4 articles about Methyl 5-(1-adamantyl)-2-hydroxybenzoate 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: 63.78%

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

: 77-78-1
dimethyl sulfate

: 126145-52-6
methyl 5-(adamantan-1-yl)-2-hydroxybenzoate

Guidance literature:: With potassium hydroxide; In water; acetone; for 20h; Ambient temperature;
DOI:10.1007/BF00764444

Reference yield: 25.0%

: 768-95-6
1-adamanthanol

: 119-36-8,8024-54-2
methyl salicylate

: 126145-52-6
methyl 5-(adamantan-1-yl)-2-hydroxybenzoate

Guidance literature:: With trifluoroacetic acid; at 95 ℃; for 5h;
DOI:10.1134/S1070428021070095

Reference yield:

: 768-90-1
1-Adamantyl bromide

: 126145-52-6
methyl 5-(adamantan-1-yl)-2-hydroxybenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: 87.41 percent / H₂O / 0.25 h / 160 - 170 °C

2: 63.78 percent / KOH / H₂O; acetone / 20 h / Ambient temperature

With potassium hydroxide; water; In water; acetone;
DOI:10.1007/BF00764444