1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

Base Information

• Chemical Name: 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one
• CAS No.: 5661-01-8
• Molecular Formula: C7H8N2O
• Molecular Weight: 136.15
• Hs Code.: 2933990090
• Mol file: 5661-01-8.mol

Synonyms:5H-Cyclopentapyrimidin-4-ol,6,7-dihydro- (6CI,7CI);5,6-Trimethylene-4(3H)-pyrimidinone;NSC 28095;

Chemical Property of 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

Chemical Property:

• Refractive Index: 1.701
• Boiling Point: 270.5oC at 760mmHg
• Flash Point: 117.4oC
• PSA: 46.01000
• Density: 1.438 g/cm³
• LogP: 0.67090
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

6,7-Dihydro-3H-cyclopenta[D]pyrimidin-4(5H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-one

There total 12 articles about 1,5,6,7-Tetrahydrocyclopenta[d]pyrimidin-4-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: 99.0%

2-mercapto-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol (35563-27-0) → 6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol (5661-01-8)

Guidance literature:

With ammonia; water; nickel; for 6h; Heating / reflux;

Reference yield: 83.0%

2-formamidocyclopentene-1-carboxylic acid methyl ester (1452392-78-7) → 6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one (5661-01-8)

Guidance literature:

With ammonium formate; formamide; at 20 - 150 ℃; for 16h;

DOI:10.1021/jm400639z

Reference yield: 60.0%

formic acid (64-18-6) + 2-amino-1-cyanocyclopentene (2941-23-3) → 6,7-dihydro-3H-cyclopenta[d]pyrimidin-4(5H)-one (5661-01-8)

Guidance literature:

With acetic anhydride; at 0 - 130 ℃; for 48h;

DOI:10.1016/j.bioorg.2019.102988

upstream raw materials:

2-sulfanylidene-1,2,3,4,6,7-hexahydro-5H-cyclopenta[d]pyrimidin-4-one

2-ethoxycarbonyl-1-cyclopentanone

methyl 2-oxocyclopentane-1-carboxylate

2aminocyclopentene-1-carboxylic acid methyl ester

Downstream raw materials:

4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine

N-(4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-methyl-N-p-tolyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine