Buthiazide

Base Information

• Chemical Name: Buthiazide
• CAS No.: 2043-38-1
• Molecular Formula: C₁₁H₁₆ClN₃O₄S₂
• Molecular Weight: 353.851
• European Community (EC) Number: 218-048-8
• UNII: W00SSD35VW
• DSSTox Substance ID: DTXSID6022713
• Nikkaji Number: J7.860C
• Wikipedia: Butizide
• Wikidata: Q5002531
• NCI Thesaurus Code: C171919
• ChEMBL ID: CHEMBL2104197
• Mol file: 2043-38-1.mol

Synonyms:buthiazide;butizide;hydrochlorbuthiazide;isobutylhydrochlorothiazide;thiabutazide

Chemical Property of Buthiazide

Chemical Property:

• Vapor Pressure: 1.09E-12mmHg at 25°C
• Melting Point: 214-217°C
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 562.7°Cat760mmHg
• PKA: 9.01±0.40(Predicted)
• Flash Point: 294.1°C
• PSA: 135.12000
• Density: 1.433g/cm³
• LogP: 4.39210
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 353.0270760
• Heavy Atom Count: 21
• Complexity: 582

Purity/Quality:

99% ^*data from raw suppliers

Buthiazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl
• Therapeutic Function: Diuretic, Antihypertensive

Technology Process of Buthiazide

There total 2 articles about Buthiazide 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: 79.0%

chloraminophenamide (121-30-2) + isovaleraldehyde (590-86-3) → butizide (2043-38-1,96782-77-3)

Guidance literature:

With 2,6-bis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazolin-2-yl]pyridine; scandium tris(trifluoromethanesulfonate); In dichloromethane; at -40 ℃; for 24h; Molecular sieve; Schlenk technique;

Reference yield:

→ butizide (2043-38-1,96782-77-3)

Guidance literature:

Reference yield:

butizide (2043-38-1,96782-77-3) → (R)-thiabutazide (96783-07-2) + thiabutazide

Guidance literature:

With isopropylamine; trifluoroacetic acid; In methanol; isopropyl alcohol; at 35 ℃; under 103432 Torr; Reagent/catalyst; Solvent; Resolution of racemate; Supercritical conditions;

DOI:10.1002/chir.22701

upstream raw materials:

chloraminophenamide

isovaleraldehyde

Downstream raw materials:

(R)-thiabutazide

Refernces

• 1、 CRAVERI,ZONI. "Synthesis of chlorothiazide and dihydrochlorothiazide derivatives.". . p. 956 - 971. Retrieved 2007/10/05.