4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid

Base Information

Chemical Name:4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid
CAS No.:7000-61-5
Molecular Formula:C₁₅H₁₅N₅O₄
Molecular Weight:329.315
Hs Code.:
NSC Number:81750
DSSTox Substance ID:DTXSID00292327
Wikidata:Q27188386
ChEMBL ID:CHEMBL1448304
Mol file:7000-61-5.mol

Synonyms:7000-61-5;4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid;MLS000737094;4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoic acid;NSC-81750;4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]aminobenzoic acid;4-[[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino]benzoic acid;4-(((1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)amino)benzoic acid;NSC81750;CHEMBL1448304;SCHEMBL15741953;DTXSID00292327;CHEBI:109304;MFCD22495143;AKOS025243810;AS-44370;SMR000528369;Q27188386;4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]aminobenzoicacid

Suppliers and Price of 4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid

Supply Marketing:

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

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Total 4 raw suppliers

Chemical Property of 4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid

Chemical Property:

Vapor Pressure:4.61E-21mmHg at 25°C
Boiling Point:708.4°Cat760mmHg
Flash Point:382.2°C
PSA：122.01000
Density:1.527g/cm³
LogP:0.34360
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:329.11240398
Heavy Atom Count:24
Complexity:534

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CNC3=CC=C(C=C3)C(=O)O

Technology Process of 4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}benzoic acid

There total 1 articles about 4-{[(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)methyl]amino}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: