2-Chloro-5,6,7,8-tetrahydroquinazoline

Base Information

• Chemical Name: 2-Chloro-5,6,7,8-tetrahydroquinazoline
• CAS No.: 81532-76-5
• Molecular Formula: C8H9ClN2
• Molecular Weight: 168.62300
• European Community (EC) Number: 860-658-7
• Mol file: 81532-76-5.mol

Synonyms:2-chloro-5,6,7,8-tetrahydroquinazoline;81532-76-5;SCHEMBL426656;OWQMLYNISASSPM-UHFFFAOYSA-N;MFCD16615162;AKOS023398187;AS-39407;2-Chloro-5,6,7,8-tetrahydro-quinazoline;CS-0136574;FT-0737856;EN300-252508;Z1255459970

Chemical Property of 2-Chloro-5,6,7,8-tetrahydroquinazoline

Chemical Property:

• Melting Point: 34-36 °C
• Boiling Point: 324.0±11.0 °C(Predicted)
• PKA: -0.38±0.20(Predicted)
• PSA: 25.78000
• Density: 1.252±0.06 g/cm3(Predicted)
• LogP: 2.00880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.0454260
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-chloro-5,6,7,8-tetrahydroquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=NC(=NC=C2C1)Cl

Technology Process of 2-Chloro-5,6,7,8-tetrahydroquinazoline

There total 6 articles about 2-Chloro-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: 82.0%

5,6,7,8-tetrahydro-2-(1H)-quinazolinone (81532-77-6) → 2-chloro-5,6,7,8-tetrahydroquinazoline (81532-76-5)

Guidance literature:

With trichlorophosphate; for 4h; Heating;

DOI:10.1248/cpb.31.2254

Reference yield: 75.0%

2,4-dichloro-5,6,7,8-tetrahydro-quinazoline (1127-85-1) → 2-chloro-5,6,7,8-tetrahydroquinazoline (81532-76-5)

Guidance literature:

With ammonium hydroxide; zinc; In dichloromethane; Reflux;

Reference yield:

2-hydroxy-5,6,7,8-tetrahydroquinazoline → 2-chloro-5,6,7,8-tetrahydroquinazoline (81532-76-5)

Guidance literature:

With N,N-diethylaniline; In chloroform; trichlorophosphate;

upstream raw materials:

5,6,7,8-tetrahydro-2-(1H)-quinazolinone

2,4-dichloro-5,6,7,8-tetrahydro-quinazoline

5,6,7,8-tetrahydroquinazoline-2,4(1H,3H)-dione

ethyl 2-oxocyclohexane carboxylate

Downstream raw materials:

2-chloro-6,7-dihydroquinazolin-8(5H)-one

2-{(5R)-5-methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}-5,6,7,8-tetrahydroquinazoline

1-(5,6,7,8-tetrahydroquinazolin-2-yl)-4-(1-[4-chlorophenyl]methyl)-piperazine oxalate

2-(4-Benzyl-piperazin-1-yl)-5,6,7,8-tetrahydro-quinazoline; hydrochloride