3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid

Base Information

Chemical Name:3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid
CAS No.:934593-92-7
Molecular Formula:C₂₅H₂₇NO₅
Molecular Weight:421.493
Hs Code.:
ChEMBL ID:CHEMBL223862
DSSTox Substance ID:DTXSID901134360

Synonyms:CHEMBL223862;3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid;SCHEMBL4301174;LTJZINXKULUVGF-UHFFFAOYSA-N;DTXSID901134360;BDBM50206624;934593-92-7;3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxybenzoic acid;3-[2-(4-adamantan-1-yl-phenoxy)acetylamino]-4-hydroxy-benzoic acid;4-Hydroxy-3-[[2-(4-tricyclo[3.3.1.13,7]dec-1-ylphenoxy)acetyl]amino]benzoic acid

Suppliers and Price of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid

Supply Marketing:

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

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Chemical Property of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:421.18892296
Heavy Atom Count:31
Complexity:644

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCC(=O)NC5=C(C=CC(=C5)C(=O)O)O

Technology Process of 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid

There total 10 articles about 3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-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: 79.1%

: 934593-91-6
3-[2-(4-adamantan-1-ylphenoxy)acetylamino]-4-hydroxybenzoic acid 2-trimethylsilylethyl ester

: 934593-92-7
AC₁-001

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃;
DOI:10.1021/jm0610292

Reference yield: 75.1%

: 934593-90-5
3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid methyl ester

: 934593-92-7
AC₁-001

Guidance literature:: 3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzoic acid methyl ester; With potassium hydroxide; water; In 1,4-dioxane; at 60 ℃; for 3h;

With hydrogenchloride; In 1,4-dioxane; water; pH=2;

Reference yield:

: 934594-05-5
4-benzyloxy-3-nitrobenzoic acid 2-trimethylsilylethyl ester

: 934593-92-7
AC₁-001

Guidance literature:: Multi-step reaction with 3 steps

1: 74.1 percent / H₂ / Pd/C / methanol / 20 °C / 51.72 Torr

2: 51 percent / 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide; 1-hydroxybenzotriazole; diisopropylethylamine / dimethylformamide / 50 °C

3: 79.1 percent / n-Bu₄NF / tetrahydrofuran / 20 °C

With tetrabutyl ammonium fluoride; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm0610292