4-Chloroquinazolin-6-yl acetate

Base Information

• Chemical Name: 4-Chloroquinazolin-6-yl acetate
• CAS No.: 179246-11-8
• Molecular Formula: C10H7 Cl N2 O2
• Molecular Weight: 222.631
• Hs Code.: 2933990090
• European Community (EC) Number: 891-227-1
• DSSTox Substance ID: DTXSID80596956
• Wikidata: Q82492383
• Mol file: 179246-11-8.mol

Synonyms:4-Chloroquinazolin-6-yl acetate;179246-11-8;6-acetoxy-4-chloroquinazoline;(4-chloroquinazolin-6-yl) acetate;4-chloro-6-quinazolinyl acetate;Acetic acid,4-chloroquinazolin-6-ylester;SCHEMBL535605;6-acetoxy-4-chloro-quinazoline;DTXSID80596956;LSBGXLOBLBWVEN-UHFFFAOYSA-N;AMY20654;6-Quinazolinol,4-chloro-,6-acetate;O-(4-chloroquinazolin-6-yl) acetate;AKOS015909624;SB13870;6-Quinazolinol, 4-chloro-, 6-acetate;Acetic acid 4-chloro-quinazolin-6-yl ester;DB-367675;CS-0448922;F73984;EN300-1702924;Z1509588295

Chemical Property of 4-Chloroquinazolin-6-yl acetate

Chemical Property:

• PSA: 52.08000
• LogP: 2.20850
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 222.0196052
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-6-quinazolinyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)N=CN=C2Cl

Technology Process of 4-Chloroquinazolin-6-yl acetate

There total 6 articles about 4-Chloroquinazolin-6-yl acetate 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%

3,4-dihydro-4-oxoquinazolin-6-yl acetate (179688-15-4) → 4-chloroquinazoline-6-yl acetate (179246-11-8)

Guidance literature:

With thionyl chloride; In DMF (N,N-dimethyl-formamide); at 90 ℃; for 3h;

Reference yield: 99.0%

4-hydroxyquinazoline-6-yl acetate (179688-15-4) → 4-chloroquinazoline-6-yl acetate (179246-11-8)

Guidance literature:

With triethylamine; trichlorophosphate; In toluene; at 80 ℃; for 2h;

Reference yield: 74.0%

6-acetoxyquinazolone → 4-chloroquinazoline-6-yl acetate (179246-11-8)

Guidance literature:

With trichlorophosphate; at 105 ℃; for 2h; Heating / reflux;

upstream raw materials:

3,4-dihydro-4-oxoquinazolin-6-yl acetate

6-hydroxyquinazolin-4(3H)-one

4-hydroxyquinazoline-6-yl acetate

2-amino-5-hydroxybenzoic acid

Downstream raw materials:

6-acetoxy-4-(3'-chloro-4'-fluoroanilino)quinazoline

4-((3-bromophenyl)amino)quinazolin-6-yl acetate

3-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yloxy)propyl 4-methylpiperazine-1-carbodithioate

4-(3-bromophenylamino)-6-hydroxyquinazoline

Refernces

• 1、 -. "Hetero-aromatic compound and its use in medicine". Paragraph 1632; 1635-1636. . Retrieved 2019/07/04.
• 2、 Forcellini, Elsa,Boutin, Sophie,Lefebvre, Carole-Anne,Shayhidin, Elnur Elyar,Boulanger, Marie-Chloé,Rhéaume, Gabrielle,Barbeau, Xavier,Lagüe, Patrick,Mathieu, Patrick,Paquin, Jean-Fran?ois. "Synthesis and biological evaluation of novel quinazoline-4-piperidinesulfamide derivatives as inhibitors of NPP1". . p. 130 - 149. Retrieved 2018/02/14.