N-(7H-purin-6-yl)furan-2-carboxamide

Base Information

• Chemical Name: N-(7H-purin-6-yl)furan-2-carboxamide
• CAS No.: 65316-39-4
• Molecular Formula: C10H7N5O2
• Molecular Weight: 229.198
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10352961
• Nikkaji Number: J3.625.292H
• Wikidata: Q82130407
• Mol file: 65316-39-4.mol

Synonyms:65316-39-4;N-(7H-purin-6-yl)furan-2-carboxamide;6-(2-FUROYLAMINO)PURINE;N-(9H-purin-6-yl)furan-2-carboxamide;N-(2-FUROYL)ADENINE;SCHEMBL1898390;DTXSID10352961;NSC795246;STK330302;STL220130;AKOS005207288;AKOS015904844;NSC-795246;N-(3H-purin-6-yl)furan-2-carboxamide;N-(7H-purin-6-yl)-furan-2-carboxamide;FT-0620796

Chemical Property of N-(7H-purin-6-yl)furan-2-carboxamide

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Melting Point: 209-210 °C
• Refractive Index: 1.772
• Boiling Point: 430.2 °C at 760 mmHg
• PKA: 11.58±0.20(Predicted)
• Flash Point: 214 °C
• PSA: 96.70000
• Density: 1.6 g/cm³
• LogP: 1.27120
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 229.05997448
• Heavy Atom Count: 17
• Complexity: 300

Purity/Quality:

98%min ^*data from raw suppliers

6-(2-FUROYLAMINO)PURINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: S22:Do not inhale dust.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=COC(=C1)C(=O)NC2=NC=NC3=C2NC=N3

Technology Process of N-(7H-purin-6-yl)furan-2-carboxamide

There total 5 articles about N-(7H-purin-6-yl)furan-2-carboxamide 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: 76.0%

2-furancarbonyl chloride (527-69-5) + 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-(9H-Purin-6-yl)furan-2-carboxamid (65316-39-4)

Guidance literature:

With pyridine; at 130 ℃; for 5h;

DOI:10.1002/hlca.19890720720

Reference yield: 11.0%

2-furanoic acid (88-14-2) + 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-(9H-Purin-6-yl)furan-2-carboxamid (65316-39-4)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl acetamide; at 110 ℃;

DOI:10.3987/COM-17-13667

Reference yield:

2-furancarbonyl chloride (527-69-5) + 7H-purin-6-ylamine (73-24-5,71660-29-2,71660-30-5) → N-(7(9)H-purin-6-yl)-furan-2-carboxamide (65316-39-4)

Guidance literature:

With pyridine; at 110 ℃;

DOI:10.1021/jo01117a016 DOI:10.1021/jo01356a607

upstream raw materials:

2-furancarbonyl chloride

7H-purin-6-ylamine

2-furoic anhydride

adenine

Downstream raw materials:

kinetin

Refernces

• 1、 -. "COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE". Page/Page column 129. . Retrieved 2015/09/22.