5H-Cycloheptapyrimidine, 6,7,8,9-tetrahydro- (7CI,8CI,9CI)

Base Information

• Chemical Name: 5H-Cycloheptapyrimidine, 6,7,8,9-tetrahydro- (7CI,8CI,9CI)
• CAS No.: 4436-63-9
• Molecular Formula: C9H12N2
• Molecular Weight: 148.20498
• Mol file: 4436-63-9.mol

Synonyms:6,7,8,9-tetrahydro-5H-cycloheptapyrimidine;6,7,8,9-Tetrahydro-5H-cyclohepta[d]pyrimidine;5H-6,7,8,9-Tetrahydrocycloheptapyrimidin;6,7,8,9-Tetrahydro-5H-cycloheptapyrimidin;

Chemical Property of 5H-Cycloheptapyrimidine, 6,7,8,9-tetrahydro- (7CI,8CI,9CI)

Chemical Property:

• Boiling Point: 94 - 95 °C (11 mmHg)
• PSA: 25.78000
• LogP: 1.74550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5H-Cycloheptapyrimidine, 6,7,8,9-tetrahydro- (7CI,8CI,9CI)

There total 12 articles about 5H-Cycloheptapyrimidine, 6,7,8,9-tetrahydro- (7CI,8CI,9CI) 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: 93.0%

1,3,5-Triazine (290-87-9) + cycloheptanone (502-42-1) → 6,7,8,9-Tetrahydro-5H-cyclohepta[d]pyrimidine (4436-63-9)

Guidance literature:

With triethylamine; pyrrolidine-2-carboxylic acid amide; In dimethyl sulfoxide; at 90 ℃; for 24h; regioselective reaction;

DOI:10.1039/c5ra16995j

Reference yield: 90.0%

3-methyl-5-nitro-4(3H)-pyrimidinone (17758-33-7) + cycloheptanone (502-42-1) → 6,7,8,9-Tetrahydro-5H-cyclohepta[d]pyrimidine (4436-63-9)

Guidance literature:

With ammonium acetate; In acetic acid; at 65 ℃; for 48h; regioselective reaction;

DOI:10.1016/j.tetlet.2012.12.020

Reference yield: 79.0%

3-methyl-5-nitro-4(3H)-pyrimidinone (17758-33-7) + cycloheptanone (502-42-1) → 6,7,8,9-Tetrahydro-5H-cyclohepta[d]pyrimidine (4436-63-9) + 1,5,6,7,8,9-Hexahydro-3-nitro-2H-cyclohepta[b]pyridin-2-one

Guidance literature:

With ammonium acetate; In methanol; at 65 ℃; for 72h;

DOI:10.1039/a704354f

upstream raw materials:

2-chlorocyclohept-1-ene-1-carbaldehyde

formamide

1,3,5-Triazine

1-pyrrolidino-1-cycloheptene

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