Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-

Base Information

Chemical Name:Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-
CAS No.:174665-28-2
Molecular Formula:C13H13N3O3
Molecular Weight:259.265
Hs Code.:
DSSTox Substance ID:DTXSID60444805
Wikidata:Q82263078

Synonyms:174665-28-2;Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-;SCHEMBL7495602;DTXSID60444805;VNACKGDCXCBGMM-UHFFFAOYSA-N;FT-0738829;4-[2-(Pyrimidin-2-ylamino)ethyloxy]benzoic acid

Suppliers and Price of Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-

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 Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:259.09569129
Heavy Atom Count:19
Complexity:274

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CN=C(N=C1)NCCOC2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]-

There total 5 articles about Benzoic acid, 4-[2-(2-pyrimidinylamino)ethoxy]- 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: 65.0%

: 174665-27-1
methyl 4-[2-(pyrimidin-2-ylamino)ethyloxy]benzoate

: 174665-28-2
4-[2-(pyrimidin-2-ylamino)ethyloxy]benzoic acid

Guidance literature:: With sodium hydroxide; In ethanol; at 60 ℃; for 2h;
DOI:10.1021/jm000133v

Reference yield:

: 56850-93-2
methyl 4-(2-Aminoethyloxy)benzoate

: 174665-28-2
4-[2-(pyrimidin-2-ylamino)ethyloxy]benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: DIPEA / dimethylformamide / 16 h / 80 °C

2: 65 percent / 1N NaOH / ethanol / 2 h / 60 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; In ethanol; N,N-dimethyl-formamide; 1: Condensation / 2: saponification;
DOI:10.1021/jm000133v

Reference yield:

: 99-76-3,156291-94-0
methyl 4-hydroxylbenzoate

: 174665-28-2
4-[2-(pyrimidin-2-ylamino)ethyloxy]benzoic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 73 percent / DEAD; Ph₃P / tetrahydrofuran; dimethylformamide / 1 h

2: hydrazine / methanol / 20 h

3: DIPEA / dimethylformamide / 16 h / 80 °C

4: 65 percent / 1N NaOH / ethanol / 2 h / 60 °C

With sodium hydroxide; N-ethyl-N,N-diisopropylamine; triphenylphosphine; hydrazine; diethylazodicarboxylate; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; 1: Condensation / 2: Hydrolysis / 3: Condensation / 4: saponification;
DOI:10.1021/jm000133v