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

Base Information

Chemical Name:4-(7-Bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid
CAS No.:101064-03-3
Molecular Formula:C₁₁H₁₁BrN₂O₄S
Molecular Weight:347.189
Hs Code.:
DSSTox Substance ID:DTXSID00876303
Nikkaji Number:J347.852A
Wikidata:Q82857915
Mol file:101064-03-3.mol

Synonyms:101064-03-3;4-(7-Bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid;DTXSID00876303;BUTANOIC ACID, 4-(7-BROMO-4H-1,2,4-BENZOTHIADIAZ

Suppliers and Price of 4-(7-Bromo-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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

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

Chemical Property:

PSA：104.21000
LogP:2.87110
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:345.96229
Heavy Atom Count:19
Complexity:485

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Br)S(=O)(=O)N=C(N2)CCCC(=O)O

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

There total 3 articles about 4-(7-Bromo-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: 75.0%

: 4-(4-Bromo-2-sulfamoyl-phenylcarbamoyl)-butyric acid methyl ester

: 101064-03-3
4-(7-Bromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-butyric acid

Guidance literature:: With sodium hydroxide; for 0.166667h;
DOI:10.1002/ardp.19853181008

Reference yield:

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

: 101064-03-3
4-(7-Bromo-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: 70 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 75 percent / 4percent aq. NaOH / 0.17 h

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

Reference yield:

: 54734-84-8
2-amino-5-bromobenzenesulfonamide

: 101064-03-3
4-(7-Bromo-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: 70 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 75 percent / 4percent aq. NaOH / 0.17 h

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