Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate

Base Information

• Chemical Name: Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate
• CAS No.: 112733-28-5
• Molecular Formula: C19H15 Br Cl F N2 O4
• Molecular Weight: 469.695
• DSSTox Substance ID: DTXSID20465652
• Nikkaji Number: J2.940.084I
• Wikidata: Q82291788
• Mol file: 112733-28-5.mol

Synonyms:112733-28-5;Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate;ethyl 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetate;FQXIRXTVFVCJFQ-UHFFFAOYSA-N;ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl)acetate;ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]acetate;SCHEMBL7860390;DTXSID20465652;ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]-acetate

Chemical Property of Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate

Chemical Property:

• PSA: 70.30000
• LogP: 3.32960
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 467.98878
• Heavy Atom Count: 28
• Complexity: 625

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C2=C(C=CC(=C2)Cl)C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

Technology Process of Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl}acetate

There total 10 articles about Ethyl {3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-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: 97.0%

ethyl 2-(7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate (112733-45-6) + 4-bromo-2-fluorobenzyl bromide (76283-09-5) → ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate (112733-28-5)

Guidance literature:

With potassium carbonate; acetic acid; In methanol; water; acetone;

Reference yield: 90.0%

3-(4-bromo-2-fluorobenzyl)-7-chloroquinazoline-2,4(1H,3H)-dione + ethyl bromoacetate (105-36-2) → ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate (112733-28-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1002/jhet.551

Reference yield:

ethyl 2-(7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate (112733-45-6) + di-isopropyl ether (108-20-3) + 4-bromo-2-fluorobenzyl bromide (76283-09-5) → ethyl 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate (112733-28-5)

Guidance literature:

With hydrogenchloride; In hexane; water; ethyl acetate; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

ethyl 2-(7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazoline-1-yl)acetate

di-isopropyl ether

4-bromo-2-fluorobenzyl bromide

ethyl bromoacetate

Downstream raw materials:

zenarestat

sodium 2-[3-(4-bromo-2-fluorobenzyl)-7-chloro-1,2,3,4-tetrahydro-2,4-dioxoquinazolin-1-yl]acetate