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

Base Information

Chemical Name:3-(5,7-dibromo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid
CAS No.:101063-95-0
Molecular Formula:C10H8Br2N2O4S
Molecular Weight:412.05500
Hs Code.:
DSSTox Substance ID:DTXSID90876195
Nikkaji Number:J347.883A
Wikidata:Q82857760
Mol file:101063-95-0.mol

Synonyms:101063-95-0;DTXSID90876195;PROPANOIC ACID, 3-(5,7-DIBROMO-4H-1,2,4-BENZOTHI

Suppliers and Price of 3-(5,7-dibromo-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

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Total 1 raw suppliers

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

Chemical Property:

PSA：104.21000
LogP:3.24350
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:411.85510
Heavy Atom Count:19
Complexity:502

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)CCC(=O)O)Br)Br

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

There total 2 articles about 3-(5,7-dibromo-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: 97.0%

: N-(2,4-Dibromo-6-sulfamoyl-phenyl)-succinamic acid methyl ester

: 101063-95-0
3-(5,7-Dibromo-1,1-dioxo-1,4-dihydro-1λ⁶-benzo[1,2,4]thiadiazin-3-yl)-propionic acid

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

Reference yield:

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

: 101063-95-0
3-(5,7-Dibromo-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: 84 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 97 percent / 0.5percent aq. NaOH / 24 h / 20 - 25 °C

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