4-(6-Methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

Base Information

Chemical Name:4-(6-Methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid
CAS No.:101064-05-5
Molecular Formula:C₁₂H₁₄N₂O₄S
Molecular Weight:282.32
Hs Code.:
DSSTox Substance ID:DTXSID50876813
Nikkaji Number:J347.854H
Wikidata:Q82858503
Mol file:101064-05-5.mol

Synonyms:101064-05-5;4-(6-Methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid;DTXSID50876813;BUTANOIC ACID, 4-(6-METHYL-4H-1,2,4-BENZOTHIADIA

Suppliers and Price of 4-(6-Methyl-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-(6-Methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

Chemical Property:

PSA：104.21000
LogP:2.41700
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:282.06742811
Heavy Atom Count:19
Complexity:480

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)S(=O)(=O)N=C(N2)CCCC(=O)O

Technology Process of 4-(6-Methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)butanoic acid

There total 3 articles about 4-(6-Methyl-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: 86.0%

: 4-(5-Methyl-2-sulfamoyl-phenylcarbamoyl)-butyric acid methyl ester

: 101064-05-5
4-(6-Methyl-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

: 101064-05-5
4-(6-Methyl-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: 75 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 86 percent / 4percent aq. NaOH / 0.17 h

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

Reference yield:

: 609-63-2
2-amino-4-methylbenzenesulfonamide

: 101064-05-5
4-(6-Methyl-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: 75 percent / N,N-dimethyl-acetamide / 20 - 25 °C

2: 86 percent / 4percent aq. NaOH / 0.17 h

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