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

Base Information

Chemical Name:2-[[6-Bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid
CAS No.:155104-15-7
Molecular Formula:C₂₁H₁₉BrN₂O₅S
Molecular Weight:491.362
Hs Code.:
DSSTox Substance ID:DTXSID90935135
Mol file:155104-15-7.mol

Synonyms:155104-15-7;2-[[6-bromo-3-(4-ethoxycarbonylphenyl)-4-oxoquinazolin-2-yl]methylsulfanyl]propanoic acid;Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)-quinazolinyl)-, 1-ethyl ester;Benzoic acid, 4-(6-bromo-2-(((1-carboxyethyl)thio)methyl)-4-oxo-3(4H)- quinazolinyl)-, 1-ethyl ester;DTXSID90935135;JEHGFYAIUBBVRA-UHFFFAOYSA-N;LS-36201;2-[({6-Bromo-3-[4-(ethoxycarbonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)sulfanyl]propanoic acid

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

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
4-(6-BROMO-2-(((1-CARBOXYETHYL)THIO)METHYL)-4-OXO-3(4H)-QUINAZOLINYL)-BENZOIC ACID-1-ETHYL ESTER 95.00%
5MG
$ 499.54

Total 0 raw suppliers

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

Chemical Property:

Vapor Pressure:1.72E-18mmHg at 25°C
Boiling Point:663.2°Cat760mmHg
Flash Point:354.9°C
PSA：123.79000
Density:1.52g/cm³
LogP:4.03120
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:490.01981
Heavy Atom Count:30
Complexity:695

Purity/Quality:: 4-(6-BROMO-2-(((1-CARBOXYETHYL)THIO)METHYL)-4-OXO-3(4H)-QUINAZOLINYL)-BENZOIC ACID-1-ETHYL ESTER 95.00% ^*data from reagent suppliers

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)CSC(C)C(=O)O

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

There total 4 articles about 2-[[6-Bromo-3-(4-ethoxycarbonylphenyl)-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: 76.0%

: 79-42-5
2-mercaptopropanoic acid

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

: 155104-15-7
6-bromo-2-(1-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

: 155104-15-7
6-bromo-2-(1-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: 76 percent / K₂CO₃ / acetone / 3 h / Heating

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

Reference yield:

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

: 155104-15-7
6-bromo-2-(1-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: 76 percent / K₂CO₃ / acetone / 3 h / Heating

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