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

Base Information

Chemical Name:Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester
CAS No.:155104-12-4
Molecular Formula:C₁₉H₁₅BrN₂O₆S
Molecular Weight:479.308
Hs Code.:
DSSTox Substance ID:DTXSID70165812
Wikidata:Q83035040

Synonyms:155104-12-4;Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester;C19H15BrN2O6S;DTXSID70165812;C19-H15-Br-N2-O6-S;LS-36206

Suppliers and Price of Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl ester

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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

Chemical Property:

Vapor Pressure:3.22E-20mmHg at 25°C
Boiling Point:694°Cat760mmHg
Flash Point:373.5°C
Density:1.66g/cm³
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:477.98342
Heavy Atom Count:29
Complexity:690

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)CSCC(=O)O)O

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

There total 3 articles about Benzoic acid, 4-(6-bromo-2-(((carboxymethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-,1-methyl 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: 72.0%

: 68-11-1
mercaptoacetic acid

: 155104-09-9
6-bromo-2-(chloromethyl)-3-<3'-hydroxy-4'-(methoxycarbonyl)phenyl>-4(3H)-quinazolinone

: 155104-12-4
6-bromo-2-(carboxymethylthiomethyl)-3-<3'-hydroxy-4'-(methoxycarbonyl)phenyl>-4(3H)-quinazolinone

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

Reference yield:

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

: 155104-12-4
6-bromo-2-(carboxymethylthiomethyl)-3-<3'-hydroxy-4'-(methoxycarbonyl)phenyl>-4(3H)-quinazolinone

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / PCl₃ / xylene / 3 h / 130 - 140 °C

2: 72 percent / K₂CO₃ / acetone / 3 h / Heating

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

Reference yield:

: 14422-49-2
2-chloroacetamidobenzoic acid

: 155104-12-4
6-bromo-2-(carboxymethylthiomethyl)-3-<3'-hydroxy-4'-(methoxycarbonyl)phenyl>-4(3H)-quinazolinone

Guidance literature:: Multi-step reaction with 3 steps

1: 88 percent / Br₂ / H₂O / 1 h

2: 67 percent / PCl₃ / xylene / 3 h / 130 - 140 °C

3: 72 percent / K₂CO₃ / acetone / 3 h / Heating

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