adenallene

Base Information

• Chemical Name: adenallene
• CAS No.: 114987-18-7
• Molecular Formula: C9H9 N5 O
• Molecular Weight: 203.2
• Mol file: 114987-18-7.mol

Synonyms:2,3-Butadien-1-ol,4-(6-amino-9H-purin-9-yl)-, (?à)-; (?à)-Adenallene; Adenallene

Chemical Property of adenallene

Chemical Property:

• Vapor Pressure: 4.75E-13mmHg at 25°C
• Boiling Point: 552.7°Cat760mmHg
• Flash Point: 288.1°C
• PSA: 89.85000
• Density: 1.45g/cm³
• LogP: 0.60780

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of adenallene

There total 12 articles about adenallene 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: 90.0%

(S)-(+)-N9-(4-acetoxy-1,2-butadien-1-yl)adenine (144019-51-2) → adenallene (114987-18-7)

Guidance literature:

With ammonia; In methanol; for 1.5h; Ambient temperature;

DOI:10.1021/jm00100a016

Reference yield: 50.0%

4-(6-Amino-purin-9-yl)-but-2-yn-1-ol (114978-79-9) → adenallene (114987-18-7)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at -10 ℃; for 1.5h;

DOI:10.1021/ja00197a063

Reference yield: 45.0%

adenallene (114987-18-7) → (-)-Adenallene (114987-18-7,121653-99-4,123351-18-8,144071-05-6) + (+)-Hypoxallene (117011-49-1,118674-22-9)

Guidance literature:

With water; for 0.666667h; Ambient temperature; adenosine deaminase,Na₂HPO₄ (pH 7.5);

DOI:10.1021/ja00197a063

upstream raw materials:

4-(6-Amino-purin-9-yl)-but-2-yn-1-ol

(S)-(+)-N⁹-(4-acetoxy-1,2-butadien-1-yl)adenine

(S)-(+)-N⁹-(4-acetoxy-1,2-butadien-1-yl)hypoxanthine

N⁹-(4-Chloro-2-butyn-1-yl)adenine

Downstream raw materials:

N⁹-(4-chlorobuta-1,2-dien-1-yl)adenine

(-)-Adenallene

(+)-Hypoxallene

9-(4-hydroxybutyl)adenine