Purine

Base Information

• Chemical Name: Purine
• CAS No.: 120-73-0
• Deprecated CAS: 273-25-6,273-26-7,51953-03-8,111055-93-7,915749-01-8
• Molecular Formula: C5H4N4
• Molecular Weight: 120.114
• Hs Code.: 29335995
• European Community (EC) Number: 204-421-2
• NSC Number: 753
• UNII: W60KTZ3IZY
• DSSTox Substance ID: DTXSID5074470
• Nikkaji Number: J5.332E
• Wikipedia: Purine
• Wikidata: Q188261
• NCI Thesaurus Code: C786
• Metabolomics Workbench ID: 37753
• ChEMBL ID: CHEMBL302239
• Mol file: 120-73-0.mol

Synonyms:purine

Chemical Property of Purine

Chemical Property:

• Appearance/Colour: very slightly yellow to cream crystalline powder
• Vapor Pressure: 0.0976mmHg at 25°C
• Melting Point: 214-217 °C(lit.)
• Refractive Index: 1.828
• Boiling Point: 424.03 °C at 760 mmHg
• PKA: 2.3(at 20℃)
• Flash Point: 225.367 °C
• PSA: 54.46000
• Density: 1.473 g/cm³
• LogP: 0.35290
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 400 g/L (20 ºC)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.043596145
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

Purine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C2C(=NC=N1)N=CN2
• Recent NIPH Clinical Trials: Inhibitory effects of amino acids against increasing in serum uric acid levels induced by purine ingestion: a randomized, single-blind, crossover study
• Uses: Organic synthesis, metabolism, and biochemi- cal research. (2) One of a number of basic compounds found in living matter and having a purine-type molecular structure. Purine can be used human immunogenic epitopes of H,K, and E human endogenous retroviruses. Purine can undergo direct C-H functionalization in the presence of palladium catalyst to form various biologically important products.

Technology Process of Purine

There total 84 articles about Purine 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: 25.0%

6-hydrazinyl-7H-purine (5404-86-4) + methylamine (74-89-5) → purine (120-73-0,149297-77-8,51953-03-8) + adenine (66224-66-6,66224-67-7,66224-68-8,66224-69-9,134434-48-3,134434-49-4,134454-76-5,134461-75-9) + N-methyladenine (443-72-1)

Guidance literature:

In methanol; at 100 ℃; for 17h;

Reference yield: 20.0%

1,2-diaminopurinium mesitylenesulphonate → purine (120-73-0) + 9H-purin-2-amine (452-06-2)

Guidance literature:

With ammonia; In methanol; at 100 ℃; for 17h; Mechanism; Product distribution;

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) → Pyrimidin-2(1H)-one (557-01-7) + carbodiimide (151-51-9,25215-75-2) + isocytosine (108-53-2,145358-63-0,674-97-5,176772-97-7) + purine (120-73-0,149297-77-8,51953-03-8) + oxalic acid (144-62-7,97993-78-7) + urea (57-13-6)

Guidance literature:

With iron sulfide; copper(II) sulfide; at 160 ℃; for 48h;

DOI:10.1021/ja804782e

upstream raw materials:

tetrahydrofuran

1,3,5-Triazine

4,5-pyrimidinediamine

1,4-dioxane

Downstream raw materials:

2',3',5'-tri-O-acetylnebularine

tri-O-acetyl-1-purin-7-yl-β-D-1-deoxy-ribofuranose

(μ-1,3-bis(diphenylphosphine)propane)bis(9H-purin-9-ate)gold(I)

tert-butyl cyclohexyl(9H-purin-9-yl)methylcarbamate

Refernces

• 1、 Unciti-Broceta, Asier,Pineda De Las Infantas, Maria J.,Gallo, Miguel A.,Espinosa, Antonio. "Reduction of different electron-poor N-heteroarylhydrazines in strong basic conditions". . p. 1754 - 1762. Retrieved 2007.
• 2、 Keelor, Joel D.,Farnsworth, Paul B.,L. Weber, Arthur,Abbott-Lyon, Heather,Fernández, Facundo M.. "Multimodal Vacuum-Assisted Plasma Ion (VaPI) Source with Transmission Mode and Laser Ablation Sampling Capabilities". . p. 897 - 907. Retrieved 2016.
• 3、 Doerr et al.. "-". . p. 3401,3407. Retrieved 1961.
• 4、 Mattia Bizzarri, Bruno,Botta, Lorenzo,Pérez-Valverde, Maritza Iveth,Saladino, Raffaele,Di Mauro, Ernesto,García-Ruiz, Juan Manuel. "Silica Metal Oxide Vesicles Catalyze Comprehensive Prebiotic Chemistry". . p. 8126 - 8132. Retrieved 2018/05/29.