Meseclazone

Base Information

• Chemical Name: Meseclazone
• CAS No.: 29053-27-8
• Molecular Formula: C₁₁H₁₀ClNO₃
• Molecular Weight: 239.658
• NSC Number: 297623
• UNII: 51KFT71THG
• DSSTox Substance ID: DTXSID70865466
• Nikkaji Number: J21.658E
• Wikipedia: Meseclazone
• Wikidata: Q6821182
• NCI Thesaurus Code: C73088
• Metabolomics Workbench ID: 155747
• ChEMBL ID: CHEMBL2104738
• Mol file: 29053-27-8.mol

Synonyms:7-chloro-3,3a-dihydro-2-methyl-2H,9H-isoxazolo(3,2-b)(1,3)benzoxazin-9-one;meseclazone;W-2395

Chemical Property of Meseclazone

Chemical Property:

• Vapor Pressure: 8.62E-08mmHg at 25°C
• Melting Point: 148°C
• Refractive Index: 1.5800 (estimate)
• Boiling Point: 435.6°Cat760mmHg
• PKA: -3.18±0.40(Predicted)
• Flash Point: 217.3°C
• PSA: 38.77000
• Density: 1.47g/cm³
• LogP: 2.16240
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 239.0349209
• Heavy Atom Count: 16
• Complexity: 312

Purity/Quality:

99% ^*data from raw suppliers

MESECLAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2N(O1)C(=O)C3=C(O2)C=CC(=C3)Cl
• Uses: Anti-inflammatory.

Technology Process of Meseclazone

There total 5 articles about Meseclazone 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:

N-(5-chlorosalicyl) hydroxamic acid (37551-43-2) → 7-chloro-2t-methyl-(3ar)-3,3a-dihydro-2H-benzo[e]isoxazolo[3,2-b][1,3]oxazin-9-one (29053-27-8,60165-08-4,60165-09-5,60165-10-8,60165-11-9,60165-12-0,60285-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / acetic acid

2: aq. NaOH

With hydrogenchloride; sodium hydroxide; In acetic acid;

Reference yield:

N-(5-chlorosalicyl) hydroxamic acid (37551-43-2) → 7-chloro-2c-methyl-(3ar)-3,3a-dihydro-2H-benzo[e]isoxazolo[3,2-b][1,3]oxazin-9-one (29053-27-8,60165-08-4,60165-09-5,60165-10-8,60165-11-9,60165-12-0,60285-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / acetic acid

2: aq. NaOH

With hydrogenchloride; sodium hydroxide; In acetic acid;

Reference yield:

6-chloro-2-(2-chloro-propyl)-3-hydroxy-2,3-dihydro-benzo[e][1,3]oxazin-4-one (63482-60-0) → 7-chloro-2t-methyl-(3ar)-3,3a-dihydro-2H-benzo[e]isoxazolo[3,2-b][1,3]oxazin-9-one (29053-27-8,60165-08-4,60165-09-5,60165-10-8,60165-11-9,60165-12-0,60285-86-1) + 7-chloro-2c-methyl-(3ar)-3,3a-dihydro-2H-benzo[e]isoxazolo[3,2-b][1,3]oxazin-9-one (29053-27-8,60165-08-4,60165-09-5,60165-10-8,60165-11-9,60165-12-0,60285-86-1)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

6-chloro-2-(2-chloro-propyl)-3-hydroxy-2,3-dihydro-benzo[e][1,3]oxazin-4-one

N-(5-chlorosalicyl) hydroxamic acid

Refernces