ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate

Base Information

• Chemical Name: ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate
• CAS No.: 6272-88-4
• Molecular Formula: C₁₀H₁₂N₆O₃
• Molecular Weight: 264.244
• NSC Number: 33633
• DSSTox Substance ID: DTXSID60417938
• Mol file: 6272-88-4.mol

Synonyms:6272-88-4;2,4-Diamino-7-hydroxy-6-pteridineacetic Acid Ethyl Ester;ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate;NSC33633;Ethyl 2-(2,4-diamino-7-hydroxypteridin-6-yl)acetate;starbld0024430;SCHEMBL17622541;DTXSID60417938;NSC-33633;ZINC04430436;ethyl 2-(2,4-diamino-7-oxo-7,8-dihydropteridin-6-yl)acetate

Chemical Property of ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate

Chemical Property:

• Melting Point: >280°C (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 149.87000
• Density: 1.77g/cm³
• LogP: 0.14550
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 264.09708827
• Heavy Atom Count: 19
• Complexity: 412

Purity/Quality:

2,4-Diamino-7-hydroxy-6-pteridineaceticAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=NC2=C(N=C(N=C2NC1=O)N)N
• Uses: An intermediate in the synthesis of 6-substituted isoxanthopterins and 7-Hydroxy Aminopterin (H797250).

Technology Process of ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate

There total 4 articles about ethyl 2-(2,4-diamino-7-oxo-8H-pteridin-6-yl)acetate 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:

4-Methyl-benzoic acid (3aR,4R,6R,6aR)-6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester (98807-33-1) → (2,4-diamino-7-oxo-7,8-dihydro-pteridin-6-yl)-acetic acid ethyl ester (6272-88-4)

Guidance literature:

With acetic acid;

DOI:10.1021/jo01137a020

Reference yield:

2,4,5,6-tetraaminopyrimidine (1004-74-6) + diethyl oxaloacetate (108-56-5) → (2,4-diamino-7-oxo-7,8-dihydro-pteridin-6-yl)-acetic acid ethyl ester (6272-88-4)

Guidance literature:

With acetic acid; Reflux;

Reference yield:

→ Ethyl 2,4-Diamino-7-hydroxypteridine-6-acetat (6272-88-4)

Guidance literature:

2,4,5,6-Tetraaminopyrimidine sulfat, Eg., 90grad, Diethyl sosiooxaloacetat, Δ;

DOI:10.1021/jm00275a038

upstream raw materials:

4-Methyl-benzoic acid (3aR,4R,6R,6aR)-6-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl ester

2,4,5,6-tetraaminopyrimidine

diethyl oxaloacetate

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