3,4-dihydroquinazolin-2(1H)-one

Base Information

• Chemical Name: 3,4-dihydroquinazolin-2(1H)-one
• CAS No.: 66655-67-2
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.164
• Hs Code.: 2933990090
• European Community (EC) Number: 961-389-9
• ChEMBL ID: CHEMBL1209829
• DSSTox Substance ID: DTXSID20494023
• Nikkaji Number: J741.565F
• Wikidata: Q72466185
• Mol file: 66655-67-2.mol

Synonyms:3,4-dihydroquinazolin-2(1H)-one;66655-67-2;3,4-dihydro-1H-quinazolin-2-one;1,2,3,4-tetrahydroquinazolin-2-one;2(1H)-Quinazolinone, 3,4-dihydro-;dihydroquinazolone;dihydroquinazolinone;3,4-dihydro-2(1H)-quinazolinone;dihydro-quinazolinone;d1Hydro-quinazolinone;SCHEMBL45104;CHEMBL1209829;DTXSID20494023;CTOUNZIAEBIWAW-UHFFFAOYSA-N;AMY36328;MFCD03425132;AKOS006350058;AKOS015919835;SB38208;AS-60517;3 pound not4-Dihydroquinazolin-2(1H)-one;CS-0149707;C76098;EN300-190123;A867414

Chemical Property of 3,4-dihydroquinazolin-2(1H)-one

Chemical Property:

• Melting Point: 241-242℃
• Boiling Point: 257℃
• PKA: 12?+-.0.20(Predicted)
• Flash Point: 120℃
• PSA: 44.62000
• Density: 1.19
• LogP: 1.09970
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 148.063662883
• Heavy Atom Count: 11
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dihydroquinazolin-2(1H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2NC(=O)N1

Technology Process of 3,4-dihydroquinazolin-2(1H)-one

There total 18 articles about 3,4-dihydroquinazolin-2(1H)-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%

bis(trichloromethyl) carbonate (32315-10-9) + 2-amino-1-benzylamine (4403-69-4) → 1,2,3,4-tetrahydroquinazolin-2-one (66655-67-2)

Guidance literature:

In tetrahydrofuran; Inert atmosphere;

DOI:10.1016/j.ejmech.2014.12.022

Reference yield: 92.0%

carbon monoxide (201230-82-2) + 2-amino-1-benzylamine (4403-69-4) → 1,2,3,4-tetrahydroquinazolin-2-one (66655-67-2)

Guidance literature:

With 1-Methylpyrrolidine; selenium; In tetrahydrofuran; at 15 ℃; for 10h; under 735.5 Torr; 1.) THF, 1 at, 15 deg C, 1 h; 2.) 5 h;

DOI:10.1246/bcsj.60.1793

Reference yield: 92.0%

carbon dioxide (124-38-9,18923-20-1) + 2-amino-1-benzylamine (4403-69-4) → 1,2,3,4-tetrahydroquinazolin-2-one (66655-67-2)

Guidance literature:

With N,N,N',N'-tetramethyl-N-phenylguanidine; diphenyl phosphoryl azide; In acetonitrile; at -40 - 25 ℃;

DOI:10.1021/jo100268n

upstream raw materials:

phosgene

2-amino-1-benzylamine

4-selenoxo-3,4-dihydroquinazolin-2(1H)-one

carbon monoxide

Downstream raw materials:

6-bromo-3,4-dihydroquinazolin-2(1H)-one

1,3-Dibenzyl-3,4-dihydro-1H-quinazolin-2-one