8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine

Base Information

• Chemical Name: 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine
• CAS No.: 30466-96-7
• Molecular Formula: C13H11 N5
• Molecular Weight: 237.264
• NSC Number: 210351
• DSSTox Substance ID: DTXSID70421389
• Wikidata: Q82232858
• ChEMBL ID: CHEMBL566793
• Mol file: 30466-96-7.mol

Synonyms:9J-018;30466-96-7;8-styryladenine;CHEMBL566793;DTXSID70421389;NSC210351;AKOS015993747;NSC-210351;8-[(E)-2-phenylethenyl]-9H-purin-6-amine;8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine;1189195-52-5

Chemical Property of 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine

Chemical Property:

• Vapor Pressure: 2.29E-07mmHg at 25°C
• Boiling Point: 423.1°Cat760mmHg
• Flash Point: 209.7°C
• Density: 1.37g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 237.10144537
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CC2=NC3=NC=NC(=C3N2)N
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=NC3=NC=NC(=C3N2)N

Technology Process of 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine

There total 3 articles about 8-[(E)-2-phenylethenyl]-9H-purin-6-ylamine 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: 74.0%

trans-2-phenylvinylboronic acid (6783-05-7) + 8-bromoadenine (6974-78-3) → 8-Styryladenine (30466-96-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 85 ℃; for 1h; Microwave irradiation;

DOI:10.1021/jm9006356

Reference yield: 72.3%

5-(6-amino-8-(((E)-styryl))-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol → 8-Styryladenine (30466-96-7)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 2h; Inert atmosphere;

Reference yield:

→ 8-Styryladenine (30466-96-7)

Guidance literature:

4,5,6-Triaminopyrimidin, Zimtsaeureamid;

DOI:10.1039/j39710000126

upstream raw materials:

trans-2-phenylvinylboronic acid

8-bromoadenine

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