5,6,7,8-Tetrahydroquinazoline

Base Information

• Chemical Name: 5,6,7,8-Tetrahydroquinazoline
• CAS No.: 5632-33-7
• Molecular Formula: C₈H₁₀N₂
• Molecular Weight: 134.181
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90348448
• Nikkaji Number: J877.051D
• Wikidata: Q82123260
• Mol file: 5632-33-7.mol

Synonyms:5,6,7,8-tetrahydroquinazoline

Chemical Property of 5,6,7,8-Tetrahydroquinazoline

Chemical Property:

• PSA: 25.78000
• LogP: 1.35540
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.084398327
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%Min ^*data from raw suppliers

5,6,7,8-Tetrahydroquinazoline 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC=NC=C2C1

Technology Process of 5,6,7,8-Tetrahydroquinazoline

There total 14 articles about 5,6,7,8-Tetrahydroquinazoline 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: 91.0%

1,3,5-Triazine (290-87-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 5,6,7,8-tetrahydroquinazoline (5632-33-7)

Guidance literature:

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

DOI:10.1039/c5ra16995j

Reference yield: 85.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 3-methyl-5-nitro-4(3H)-pyrimidinone (17758-33-7) → 5,6,7,8-tetrahydroquinazoline (5632-33-7)

Guidance literature:

With ammonia; In acetonitrile; at 100 ℃; for 3h;

Reference yield: 78.0%

4-cyclohexen-1-ylmorpholine (670-80-4) + 3-methyl-5-nitro-4(3H)-pyrimidinone (17758-33-7) → 5,6,7,8-tetrahydroquinazoline (5632-33-7)

Guidance literature:

With ammonia; In acetonitrile; at 100 ℃; for 3h;

upstream raw materials:

cyclohexanone

formamide

Cyclohexanone-2-carbaldehyde

2-chlorocyclohexene-1-carboxaldehyde

Downstream raw materials:

8-oxo-5,6,7,8-tetrahydroquinazoline