Benzylhydrochlorothiazide

Base Information

• Chemical Name: Benzylhydrochlorothiazide
• CAS No.: 1824-50-6
• Molecular Formula: C₁₄H₁₄ClN₃O₄S₂
• Molecular Weight: 387.868
• NSC Number: 263220
• UNII: 176437APQH
• DSSTox Substance ID: DTXSID1045114
• Nikkaji Number: J7.784D
• Wikidata: Q27114252
• NCI Thesaurus Code: C79722
• Metabolomics Workbench ID: 67428
• ChEMBL ID: CHEMBL1562084
• Mol file: 1824-50-6.mol

Synonyms:benzylhydrochlorothiazide;BHCTh

Chemical Property of Benzylhydrochlorothiazide

Chemical Property:

• Vapor Pressure: 6.33E-16mmHg at 25°C
• Melting Point: 254-256°C (dec.)
• Boiling Point: 632.9°Cat760mmHg
• Flash Point: 336.6°C
• PSA: 135.12000
• Density: 1.526g/cm³
• LogP: 4.58870
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 387.0114260
• Heavy Atom Count: 24
• Complexity: 653

Purity/Quality:

99%, ^*data from raw suppliers

Benzylhydrochlorothiazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl
• Uses: Used as a diuretic and blood pressure-lowering reagent Labelled Benzylhydrochlorothiazide, which is used as a diruetic and blood pressure-lowering reagent

Technology Process of Benzylhydrochlorothiazide

There total 6 articles about Benzylhydrochlorothiazide 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:

chloraminophenamide (121-30-2) + phenylacetaldehyde (122-78-1) → benzylhydrochlorothiazide (96782-97-7,96782-98-8,1824-50-6)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jo01076a028

Reference yield:

chloraminophenamide (121-30-2) + phenylethane 1,2-diol (93-56-1) → benzylhydrochlorothiazide (96782-97-7,96782-98-8,1824-50-6)

Guidance literature:

With sulfuric acid; Heating;

Reference yield:

chloraminophenamide (121-30-2) + styrene oxide (96-09-3) → benzylhydrochlorothiazide (96782-97-7,96782-98-8,1824-50-6)

Guidance literature:

With sulfuric acid; Heating;

upstream raw materials:

styrene

chloraminophenamide

phenylethane 1,2-diol

styrene oxide

Refernces