3-Amino-4(3H)-quinazolinone

Base Information

• Chemical Name: 3-Amino-4(3H)-quinazolinone
• CAS No.: 14663-46-8
• Molecular Formula: C8H7N3O
• Molecular Weight: 161.163
• Hs Code.: 2933990090
• European Community (EC) Number: 621-069-9
• NSC Number: 113673,59161
• DSSTox Substance ID: DTXSID20163424
• Nikkaji Number: J73.029G
• Wikidata: Q72441962
• Mol file: 14663-46-8.mol

Synonyms:3-Amino-4(3H)-quinazolinone;14663-46-8;3-aminoquinazolin-4(3H)-one;3-aminoquinazolin-4-one;3-amino-3,4-dihydroquinazolin-4-one;4(3H)-Quinazolinone, 3-amino-;NSC 113673;BRN 0131407;3-AMINO-4(3H)-QUINAZOLINONE 97;5-24-03-00046 (Beilstein Handbook Reference);NSC59161;Oprea1_202754;3-amino-4(3H)quinazolinone;3-Amino-4(3H)-quinazolone;SCHEMBL3190592;DTXSID20163424;HMS1721J10;MFCD01038386;NSC-59161;NSC113673;STL195364;3-Amino-4(3H)-quinazolinone, 97%;AKOS000312975;EA-0822;NSC-113673;LS-140285;CS-0222566;FT-0738961;EN300-11169;A18212;J-511734;Z56800661

Chemical Property of 3-Amino-4(3H)-quinazolinone

Chemical Property:

• Vapor Pressure: 4.87E-05mmHg at 25°C
• Melting Point: 209-213°C(lit.)
• Refractive Index: 1.702
• Boiling Point: 348.9 °C at 760 mmHg
• Flash Point: 164.8°C
• PSA: 60.91000
• Density: 1.41g/cm³
• LogP: 0.69150
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.058911855
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-4(3H)-quinazolinone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 36/38
• Safety Statements: 26-36/37

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)N
• Uses: 3-Amino-4(3H)-quinazolinone was used in the study of anticonvulsant activity and neurotoxicity of 2-alkyl-3-amino-4(3H)quinazolinones in mice.

Technology Process of 3-Amino-4(3H)-quinazolinone

There total 23 articles about 3-Amino-4(3H)-quinazolinone 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: 94.0%

<(2-Methoxycarbonyl-anilino)-methylen>-cyanessigsaeure-aethylester (97030-88-1) → 3-amino-3,4-dihydroquinazolin-4-one (14663-46-8)

Guidance literature:

With hydrazine; In ethanol;

DOI:10.1002/jhet.5570190634

Reference yield: 89.0%

oxalic acid diethyl ester (95-92-1) + anthranilic acid hydrazide (1904-58-1) → 3-amino-3,4-dihydroquinazolin-4-one (14663-46-8)

Guidance literature:

for 0.116667h; microwave irradiation;

DOI:10.1134/S1070428007040215

Reference yield: 87.0%

formic acid (64-18-6) + anthranilic acid hydrazide (1904-58-1) → 3-amino-3,4-dihydroquinazolin-4-one (14663-46-8)

Guidance literature:

for 8h; Heating;

upstream raw materials:

3-phenyl-4(3H)-quinazolinone

4-Hydroxyquinazoline

formic acid

anthranilic acid hydrazide

Downstream raw materials:

N-[4-chloro-2-(1-{4⁽³⁾-oxo-quinazolin-3-yl}imino)ethylphenyl]-trifluoromethanesulfonamide

1-(4-oxoquinazolin-3(4H)-yl)-3-phenylthiourea

C₂₇H₂₁N₄O₆P

C₂₇H₂₁ClN₃O₄P

Refernces

• 1、 Kornet. "Reaction of methyl 2-(2',2'-bis(carbethoxy)vinylamino)benzoate with hydrazine.". . p. 834 - 835. Retrieved 1973.
• 2、 Okuda, Kensuke,Tagata, Tsuyoshi,Kashino, Setsuo,Hirota, Takashi,Sasaki, Kenji. "Polycyclic N-heterocyclic compounds. Part 601): Reactions of 3-(2-cyanophenyl)quinazolin-4(3H)-ones with primary amines". experimental part. p. 1296 - 1299. Retrieved 2010/05/02.
• 3、 Shemchuk,Chernykh,Arzumanov,Levashov,Shemchuk. "Synthesis of N-(4-oxo-3,4-dihydroquinazolin-3-yl)succinimide and N-(4-oxoquinazolin-3-yl)succinamic acid derivatives based thereon". . p. 615 - 618. Retrieved 2008/02/02.