Flumethiazide

Base Information

• Chemical Name: Flumethiazide
• CAS No.: 148-56-1
• Molecular Formula: C8H6 F3 N3 O4 S2
• Molecular Weight: 329.281
• Hs Code.: 2935009090
• European Community (EC) Number: 205-717-4
• NSC Number: 44626
• UNII: 3PA0CDS0M5
• DSSTox Substance ID: DTXSID60163862
• Nikkaji Number: J5.846G
• Wikidata: Q27257858
• NCI Thesaurus Code: C76024
• ChEMBL ID: CHEMBL2105128
• Mol file: 148-56-1.mol

Synonyms:Ademol;flumethiazide

Chemical Property of Flumethiazide

Chemical Property:

• Melting Point: 306.6°C
• Boiling Point: 560°Cat760mmHg
• PKA: pKa 6.3(H2O) (Uncertain)
• Flash Point: 292.5°C
• PSA: 135.45000
• Density: 1.99g/cm³
• LogP: 2.93080
• Water Solubility.: 1.05g/L(room temperature)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 1
• Exact Mass: 328.97518251
• Heavy Atom Count: 20
• Complexity: 617

Purity/Quality:

99% ^*data from raw suppliers

FLUMETHIAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC2=C1NC=NS2(=O)=O)S(=O)(=O)N)C(F)(F)F
• Therapeutic Function: Carbonic anhydrase inhibitor

Technology Process of Flumethiazide

There total 2 articles about Flumethiazide 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:

→ Flumethiazide (148-56-1)

Guidance literature:

/BRN= 32146/;

DOI:10.1021/ja01527a015

Reference yield:

→ flumethiazide (148-56-1)

Guidance literature:

5-Amino-α,α,α-trifluor-toluol-disulfonsaeure-(2,4)-diamid, Triaethylorthoformiat <120grad,2h> n. Kristallisation des Aethoxymethylenderiv. aus W. ;

DOI:10.1021/jo01069a033

Reference yield:

flumethiazide (148-56-1) → 4-amino-6-trifluoromethyl-benzene-1,3-disulfonic acid 1-amide 3-ethylamide (670-00-8)

Guidance literature:

Multi-step reaction with 3 steps

2: aq. propan-2-ol

3: aq. NaOH

With sodium hydroxide; In isopropyl alcohol;

DOI:10.1021/jo01069a033

Downstream raw materials:

α.α.α-Trifluor-N²-methyl-5-methylamino-toluol-2.4-disulfonamid

6'-Methylsulfamoyl-α.α.α-trifluor-4'-sulfamoyl-m-formotoluidid

4-amino-6-trifluoromethyl-benzene-1,3-disulfonic acid 1-amide 3-ethylamide

5-Formylamino-α.α.α-trifluor-toluol-disulfonsaeure-(2.4)-amid-(2)-aethylamid-(4)