3-(7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid

Base Information

Chemical Name:3-(7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid
CAS No.:91445-76-0
Molecular Formula:C₁₀H₉BrN₂O₄S
Molecular Weight:333.162
Hs Code.:
DSSTox Substance ID:DTXSID20876229
Nikkaji Number:J347.882C
Wikidata:Q82857816
Mol file:91445-76-0.mol

Synonyms:91445-76-0;DTXSID20876229;PROPANOIC ACID, 3-(7-BROMO-4H-1,2,4-BENZOTHIADIA

Suppliers and Price of 3-(7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)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

Total 4 raw suppliers

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

Chemical Property:

PSA：104.21000
LogP:2.48100
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:331.94664
Heavy Atom Count:18
Complexity:471

Purity/Quality:: 99% ^*data from raw suppliers

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)CCC(=O)O

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

There total 3 articles about 3-(7-bromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)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: 72.0%

: N-(4-Bromo-2-sulfamoyl-phenyl)-succinamic acid methyl ester

: 91445-76-0
3-(7-Bromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-propionic acid

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

Reference yield:

: 4826-22-6
3-(2-Carboxy-ethyl)-1,2,4-benzothiadiazin-1,1-dioxid

: 91445-76-0
7-Brom-3-(2-carboxy-ethyl)-1,2,4-benzothiadiazin-1,1-dioxid

Guidance literature:: With bromine; In N,N-dimethyl-formamide; at 40 ℃;

Reference yield:

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

: 91445-76-0
3-(7-Bromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-propionic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 72 percent / 4percent aq. NaOH / 0.17 h

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