4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

Base Information

Chemical Name:4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid
CAS No.:101064-04-4
Molecular Formula:C11H10Br2N2O4S
Molecular Weight:426.08
Hs Code.:
DSSTox Substance ID:DTXSID50876277
Nikkaji Number:J347.853J
Wikidata:Q82857885
Mol file:101064-04-4.mol

Synonyms:101064-04-4;4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid;DTXSID50876277;BUTANOIC ACID, 4-(5,7-DIBROMO-4H-1,2,4-BENZOTHIA

Suppliers and Price of 4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

Supply Marketing:

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

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Chemical Property of 4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

Chemical Property:

XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:425.87075
Heavy Atom Count:20
Complexity:517

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C2=C1S(=O)(=O)N=C(N2)CCCC(=O)O)Br)Br

Technology Process of 4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

There total 3 articles about 4-(5,7-Dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic 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: 78.0%

: 4-(2,4-Dibromo-6-sulfamoyl-phenylcarbamoyl)-butyric acid methyl ester

: 101064-04-4
4-(5,7-Dibromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-butyric acid

: 5-<(2'-Amino-3',5'-dibromophenylsulfonyl)-amino>-5-oxo-pentanoic acid

Guidance literature:: With sodium hydroxide; at 20 - 25 ℃; for 24h;
DOI:10.1002/ardp.19853181008

Reference yield:

: 1501-26-4
methyl 4-(chlorocarbonyl)butyrate

: 101064-04-4
4-(5,7-Dibromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 78 percent / 0.5percent aq. NaOH / 24 h / 20 - 25 °C

With sodium hydroxide; In N,N-dimethyl acetamide;
DOI:10.1002/ardp.19853181008

Reference yield:

: 59018-47-2
2-amino-3,5-dibromobenzenesulfonamide

: 101064-04-4
4-(5,7-Dibromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-butyric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 89 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 78 percent / 0.5percent aq. NaOH / 24 h / 20 - 25 °C

With sodium hydroxide; In N,N-dimethyl acetamide;
DOI:10.1002/ardp.19853181008