Methyclothiazide

Base Information

• Chemical Name: Methyclothiazide
• CAS No.: 135-07-9
• Molecular Formula: C₉H₁₁Cl₂N₃O₄S₂
• Molecular Weight: 360.242
• Hs Code.: 2935904000
• European Community (EC) Number: 205-172-2
• NSC Number: 760078,110431
• UNII: L3H46UAC61,R6KDH2S0SX,R00UUL4SRN
• DSSTox Substance ID: DTXSID6023313
• Nikkaji Number: J5.603K
• Wikipedia: Methyclothiazide
• Wikidata: Q6823919
• NCI Thesaurus Code: C47614
• Pharos Ligand ID: MMBUAJUDRCNN
• Metabolomics Workbench ID: 42634
• ChEMBL ID: CHEMBL1577
• Mol file: 135-07-9.mol

Synonyms:Methyclothiazide

Chemical Property of Methyclothiazide

Chemical Property:

• Appearance/Colour: white crystal powder
• Vapor Pressure: 2.93E-14mmHg at 25°C
• Melting Point: 223-225oC
• Refractive Index: 1.606
• Boiling Point: 597.928 °C at 760 mmHg
• PKA: 9.4(at 25℃)
• Flash Point: 315.416 °C
• PSA: 126.33000
• Density: 1.613 g/cm³
• LogP: 3.53610
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 50mg/L(room temperature)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 358.9568036
• Heavy Atom Count: 20
• Complexity: 571

Purity/Quality:

99% ^*data from raw suppliers

Methyclothiazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C(NC2=CC(=C(C=C2S1(=O)=O)S(=O)(=O)N)Cl)CCl
• Uses: antibacterial Methyclothiazid, is derivative of Hydrochlorothiazide (H714560), which is a diuretic used in the hospital or for personal use to promote excess fluid associated with congestive heart failure. It is also used as an antihypertensive.

Technology Process of Methyclothiazide

There total 5 articles about Methyclothiazide 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) → Methyclothiazid (135-07-9,96783-14-1,96783-15-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 1 h / 180 °C

2: NaH / dimethylformamide / 1 h / 70 °C

3: aq. NaOH / Heating

4: H₂O

With sodium hydroxide; sodium hydride; In water; N,N-dimethyl-formamide;

DOI:10.1021/ja01490a028

Reference yield:

6-chloro-3,4-dihydro-3-oxo-2H-1,2,4-benzothiadiazine-7-sulfonamide,1,1-dioxide (89813-56-9) → Methyclothiazid (135-07-9,96783-14-1,96783-15-2)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / dimethylformamide / 1 h / 70 °C

2: aq. NaOH / Heating

3: H₂O

With sodium hydroxide; sodium hydride; In water; N,N-dimethyl-formamide;

DOI:10.1021/ja01490a028

Reference yield:

6-chloro-2-methyl-1,1,3-trioxo-1,2,3,4-tetrahydro-1λ6-benzo[1,2,4]thiadiazine-7-sulfonic acid amide (89813-57-0) → Methyclothiazid (135-07-9,96783-14-1,96783-15-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH / Heating

2: H₂O

With sodium hydroxide; In water;

DOI:10.1021/ja01490a028

upstream raw materials:

2-chloroethanal

4-amino-2-chloro-5-(methylsulfamyl)benzenesulfonamide

chloraminophenamide

6-chloro-3,4-dihydro-3-oxo-2H-1,2,4-benzothiadiazine-7-sulfonamide,1,1-dioxide

Downstream raw materials:

4-amino-2-chloro-5-(methylsulfamyl)benzenesulfonamide