Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-

Base Information

Chemical Name:Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-
CAS No.:33047-42-6
Molecular Formula:C15H14N6O2
Molecular Weight:310.315
Hs Code.:
DSSTox Substance ID:DTXSID00444162
Wikidata:Q82262202

Synonyms:33047-42-6;Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-;SCHEMBL24344752;DTXSID00444162

Suppliers and Price of Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-

Supply Marketing:

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

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Chemical Property of Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-

Chemical Property:

XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:310.11782371
Heavy Atom Count:23
Complexity:415

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Technology Process of Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]-

There total 16 articles about Benzoic acid, 4-[2-(2,4-diamino-6-pteridinyl)ethyl]- 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: 87.0%

: 111292-00-3
tert-butyl 4-<(2,4-diaminopteridin-6-yl)ethyl>benzoate

: 33047-42-6
4-<(2,4-diaminopteridin-6-yl)ethyl>benzoic acid

Guidance literature:: With hydrogenchloride; In nitromethane; at 0 - 20 ℃; for 0.75h;
DOI:10.1021/jo00236a009

Reference yield:

: 96056-44-9
4-[2-(2,4-Diamino-7,8-dihydro-pteridin-6-yl)-ethyl]-benzoic acid

: 33047-42-6
4-<(2,4-diaminopteridin-6-yl)ethyl>benzoic acid

Guidance literature:: With methanol; potassium permanganate; In acetonitrile; at 25 ℃; for 0.5h;
DOI:10.1021/jo00211a019

Reference yield:

: 111291-99-7
tert-butyl 4-<(2,4-diaminopteridin-6-yl)ethynyl>benzoate

: 33047-42-6
4-<(2,4-diaminopteridin-6-yl)ethyl>benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / H₂ / 10percent Pd/C / dimethylformamide / 12 h / 735.5 Torr / Ambient temperature

2: 87 percent / HCl gas / nitromethane / 0.75 h / 0 - 20 °C

With hydrogenchloride; hydrogen; palladium on activated charcoal; In nitromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo00236a009