2-(4-oxo-1H-quinazolin-2-yl)acetonitrile

Base Information

• Chemical Name: 2-(4-oxo-1H-quinazolin-2-yl)acetonitrile
• CAS No.: 30750-23-3
• Molecular Formula: C10H7 N3 O
• Molecular Weight: 185.185
• Hs Code.: 2933990090
• Mol file: 30750-23-3.mol

Synonyms:2-Quinazolineacetonitrile,1,4-dihydro-4-oxo- (9CI); 2-Quinazolineacetonitrile, 4-hydroxy- (7CI);2-(Cyanomethyl)-4(3H)-quinazolinone; 2-(Cyanomethyl)quinazolinone; NSC 657591

Chemical Property of 2-(4-oxo-1H-quinazolin-2-yl)acetonitrile

Chemical Property:

• Vapor Pressure: 1.48E-06mmHg at 25°C
• Melting Point: 242 °C(Solv: water (7732-18-5))
• Boiling Point: 398.4°Cat760mmHg
• PKA: 0.61±0.20(Predicted)
• Flash Point: 194.7°C
• PSA: 69.80000
• Density: 1.32g/cm³
• LogP: 1.40148

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-oxo-1H-quinazolin-2-yl)acetonitrile

There total 16 articles about 2-(4-oxo-1H-quinazolin-2-yl)acetonitrile 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%

α-cyanoiminothioacetic acid ethyl ester (60278-76-4) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-(4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile (30750-23-3)

Guidance literature:

In methanol; Heating;

DOI:10.1023/A:1015639404863

Reference yield: 92.0%

2-(4-oxo-3,4-dihydro-2-quinazolinyl)-2-(tetrahydro-2-furanylidene)acetonitrile (622847-77-2) → 2-(4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile (30750-23-3)

Guidance literature:

With pyrrolidine; In isopropyl alcohol; Heating;

DOI:10.1007/s10593-010-0604-0

Reference yield: 83.0%

C14H13N3O3 → 2-(4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile (30750-23-3)

Guidance literature:

With sodium hydroxide; In water; isopropyl alcohol; Heating;

DOI:10.1007/s10593-010-0604-0

upstream raw materials:

Cyanothioacetamide

anthranilic acid

methyl 2-cyanoethanimidothioate

(4-oxo-4H-3,1-benzoxazin-2-yl)-2-acetonitrile

Downstream raw materials:

(E)-3-(4-Chloro-phenyl)-2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-acrylonitrile

(E)-2-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-3-phenyl-acrylonitrile

(E)-3-(4-Hydroxy-phenyl)-2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-acrylonitrile

(E)-3-(4-Methoxy-phenyl)-2-(4-oxo-3,4-dihydro-quinazolin-2-yl)-acrylonitrile