9-(4-hydroxybuta-1,2-dien-1-yl)-3,9-dihydro-6H-purin-6-one

Base Information

• Chemical Name: 9-(4-hydroxybuta-1,2-dien-1-yl)-3,9-dihydro-6H-purin-6-one
• CAS No.: 117011-49-1
• Molecular Formula: C9H8 N4 O2
• Molecular Weight: 204.1854
• Mol file: 117011-49-1.mol

Synonyms:6H-Purin-6-one,1,9-dihydro-9-(4-hydroxy-1,2-butadienyl)- (9CI); 6H-Purin-6-one,1,9-dihydro-9-(4-hydroxy-1,2-butadienyl)-, (?à)-; Hypoxallene

Chemical Property of 9-(4-hydroxybuta-1,2-dien-1-yl)-3,9-dihydro-6H-purin-6-one

Chemical Property:

• Vapor Pressure: 9.93E-14mmHg at 25°C
• Boiling Point: 567.8°C at 760 mmHg
• Flash Point: 297.2°C
• PSA: 84.06000
• Density: 1.45g/cm³
• LogP: 0.15000

Purity/Quality:

99% ^*data from raw suppliers

HYPOXALLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 9-(4-hydroxybuta-1,2-dien-1-yl)-3,9-dihydro-6H-purin-6-one

There total 2 articles about 9-(4-hydroxybuta-1,2-dien-1-yl)-3,9-dihydro-6H-purin-6-one 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: 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

Reference yield: 30.0%

4-(6-Amino-purin-9-yl)-but-2-yn-1-ol (114978-79-9) → (-)-Adenallene (114987-18-7,121653-99-4,123351-18-8,144071-05-6) + (+)-Hypoxallene (117011-49-1,118674-22-9)

Guidance literature:

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

DOI:10.1021/ja00197a063

Reference yield: 51.9%

(S)-(+)-N9-(4-hydroxy-1,2-butadien-1-yl)hypoxanthine (117011-49-1) + phenyl methoxyalaninyl phosphorochloridate (142629-80-9) → (S)-2-{[4-(6-Oxo-1,6-dihydro-purin-9-yl)-buta-2,3-dienyloxy]-phenoxy-phosphorylamino}-propionic acid methyl ester

Guidance literature:

With 1-methyl-1H-imidazole; In tetrahydrofuran; for 3h; Ambient temperature;

DOI:10.1021/jm960330n

upstream raw materials:

adenallene

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

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