2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid

Base Information

Chemical Name:2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
CAS No.:155104-16-8
Molecular Formula:C₂₀H₁₇BrN₂O₆S
Molecular Weight:493.335
Hs Code.:
DSSTox Substance ID:DTXSID50935136
Mol file:155104-16-8.mol

Synonyms:155104-16-8;6-Bromo-2-(1-carboxyethylthiomethyl)-3-(3'-hydroxy-4'-(methoxy)phenyl)-4(3H)-quinazolinone;2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid;Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-2-hydroxy-, 1-methyl ester;2-[[6-bromo-3-(3-hydroxy-4-methoxycarbonyl-phenyl)-4-oxo-quinazolin-2- yl]methylsulfanyl]propanoic a;DTXSID50935136;BSEYJOSNSXHVGH-UHFFFAOYSA-N;LS-36203;2-[({6-Bromo-3-[3-hydroxy-4-(methoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid

Suppliers and Price of 2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid

Supply Marketing:

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Chemical Property of 2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid

Chemical Property:

Vapor Pressure:4.64E-20mmHg at 25°C
Boiling Point:691.2°Cat760mmHg
Flash Point:371.8°C
PSA：144.02000
Density:1.63g/cm³
LogP:3.34670
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:491.99907
Heavy Atom Count:30
Complexity:719

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)O)SCC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC(=C(C=C3)C(=O)OC)O

Technology Process of 2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid

There total 3 articles about 2-[[6-Bromo-3-(3-hydroxy-4-methoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid 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: 68.0%

: 79-42-5
2-mercaptopropanoic acid

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

: 155104-16-8
6-bromo-2-(1-carboxyethylthiomethyl)-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

: 155104-16-8
6-bromo-2-(1-carboxyethylthiomethyl)-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: 68 percent / K₂CO₃ / acetone / 3 h / Heating

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

Reference yield:

: 14422-49-2
2-chloroacetamidobenzoic acid

: 155104-16-8
6-bromo-2-(1-carboxyethylthiomethyl)-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: 68 percent / K₂CO₃ / acetone / 3 h / Heating

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