Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester
CAS No.:155104-13-5
Molecular Formula:C₂₁H₁₉BrN₂O₅S
Molecular Weight:491.362
Hs Code.:
DSSTox Substance ID:DTXSID70935133
Wikidata:Q82911142

Synonyms:155104-13-5;Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester;C21H19BrN2O5S;DTXSID70935133;LS-36202;3-[({6-Bromo-3-[4-(ethoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid

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Chemical Property of Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester

Chemical Property:

Vapor Pressure:2.08E-19mmHg at 25°C
Boiling Point:679.7°Cat760mmHg
Flash Point:364.9°C
Density:1.52g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:490.01981
Heavy Atom Count:30
Complexity:680

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCCC(=O)O

Technology Process of Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester

There total 4 articles about Benzoic acid, 4-(6-bromo-2-(((2-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester 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: 73.0%

: 155104-08-8
6-bromo-2-(chloromethyl)-3-<4'-(ethoxycarbonyl)phenyl>-4(3H)-quinazolinone

: 107-96-0
3-mercaptopropionic acid

: 155104-13-5
6-bromo-2-(2-carboxyethylthiomethyl)-3-<4-(ethoxycarbonyl)phenyl>-4(3H)-quinazolinone

Guidance literature:: With potassium carbonate; In acetone; for 3h; Heating;

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 155104-13-5
6-bromo-2-(2-carboxyethylthiomethyl)-3-<4-(ethoxycarbonyl)phenyl>-4(3H)-quinazolinone

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / PCl₃ / xylene / 3 h / 130 - 140 °C

2: 73 percent / K₂CO₃ / acetone / 3 h / Heating

With potassium carbonate; phosphorus trichloride; In acetone; xylene;

Reference yield:

: 155104-20-4
N-chloroacetyl-5-bromoanthranilic acid

: 155104-13-5
6-bromo-2-(2-carboxyethylthiomethyl)-3-<4-(ethoxycarbonyl)phenyl>-4(3H)-quinazolinone

Guidance literature:: Multi-step reaction with 2 steps

1: 72 percent / PCl₃ / xylene / 3 h / 130 - 140 °C

2: 73 percent / K₂CO₃ / acetone / 3 h / Heating

With potassium carbonate; phosphorus trichloride; In acetone; xylene;