2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Base Information

• Chemical Name: 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
• CAS No.: 1416209-36-3
• Molecular Formula: C₂₇H₂₆N₆O₃S
• Molecular Weight: 514.608
• Mol file: 1416209-36-3.mol

Synonyms:2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Chemical Property of 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

There total 4 articles about 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile 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: 69.0%

C15H13ClN4O3 (1170005-16-9) + 2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile (154384-02-8) → 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (1416209-36-3)

Guidance literature:

With potassium hydroxide; In water; N,N-dimethyl-formamide; at 15 ℃;

DOI:10.1007/s10593-012-1149-1

Reference yield:

8-(hydroxymethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione (27038-81-9) → 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (1416209-36-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / water / Heating

1.2: 2 h / Reflux

2.1: thionyl chloride / 6 h / Reflux

3.1: potassium hydroxide / water; N,N-dimethyl-formamide / 15 °C

With thionyl chloride; potassium hydroxide; sodium hydroxide; In water; N,N-dimethyl-formamide;

DOI:10.1007/s10593-012-1149-1

Reference yield:

α-bromoacetophenone (70-11-1) → 2-({[3-methyl-2,6-dioxo-7-(2-oxo-2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (1416209-36-3)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / water / Heating

1.2: 2 h / Reflux

2.1: thionyl chloride / 6 h / Reflux

3.1: potassium hydroxide / water; N,N-dimethyl-formamide / 15 °C

With thionyl chloride; potassium hydroxide; sodium hydroxide; In water; N,N-dimethyl-formamide;

DOI:10.1007/s10593-012-1149-1

upstream raw materials:

8-(hydroxymethyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

C₁₅H₁₄N₄O₄

α-bromoacetophenone

C₁₅H₁₃ClN₄O₃

Downstream raw materials:

1-methyl-7-phenyl-10,11,12,13,14,15-hexahydro-1H-cycloocta[5'',6'']pyrido[3'',2'':4',5']thieno-[3',2':5,6][1,4]diazepino[7,1-f]purine-2,4(3H,6H)-dione