Sulfamoxole

Base Information

• Chemical Name: Sulfamoxole
• CAS No.: 729-99-7
• Molecular Formula: C11H13 N3 O3 S
• Molecular Weight: 267.309
• European Community (EC) Number: 211-982-7
• NSC Number: 683535
• UNII: HGG82XE020
• DSSTox Substance ID: DTXSID5023617
• Nikkaji Number: J6.953A
• Wikipedia: Sulfamoxole
• Wikidata: Q6577297
• NCI Thesaurus Code: C152456
• Metabolomics Workbench ID: 43715
• ChEMBL ID: CHEMBL2105399
• Mol file: 729-99-7.mol

Synonyms:Sulfamoxole;Sulphamoxole

Chemical Property of Sulfamoxole

Chemical Property:

• Vapor Pressure: 2.06E-09mmHg at 25°C
• Melting Point: 197-199℃
• Refractive Index: 1.6630 (estimate)
• Boiling Point: 481°C at 760 mmHg
• PKA: pKa 7.40 (Uncertain)
• Flash Point: 244.7°C
• PSA: 106.60000
• Density: 1.3786 g/cm3
• LogP: 3.40940
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: 961mg/L(20 oC)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 267.06776246
• Heavy Atom Count: 18
• Complexity: 374

Purity/Quality:

99% ^*data from raw suppliers

Sulfamoxole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C
• Uses: Silversulfadiazine and Sulfamoxol are common drugs in treatment of bacterial disease.

Technology Process of Sulfamoxole

There total 6 articles about Sulfamoxole 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:

(4,5-dimethyl-oxazol-2-yl)-bis-(4-nitro-benzenesulfonyl)-amine (110490-38-5) → sulphamoxole (729-99-7)

Guidance literature:

With hydrogenchloride; iron;

Reference yield:

bis-(N-acetyl-sulfanilyl)-(4,5-dimethyl-oxazol-2-yl)-amine (103640-72-8) → sulphamoxole (729-99-7)

Guidance literature:

With hydrogenchloride;

Reference yield:

2-amino-4,5-dimethyloxazole (45529-92-8) → sulphamoxole (729-99-7)

Guidance literature:

Multi-step reaction with 2 steps

2: iron; aqueous HCl

With hydrogenchloride; iron;

upstream raw materials:

(4,5-dimethyl-oxazol-2-yl)-bis-(4-nitro-benzenesulfonyl)-amine

bis-(N-acetyl-sulfanilyl)-(4,5-dimethyl-oxazol-2-yl)-amine

2-amino-4,5-dimethyloxazole

4-Nitrobenzenesulfonyl chloride

Downstream raw materials:

C₂₈H₂₅N₅O₄S

C₁₄H₁₄N₆O₃S₂

N-[4-(4,5-Dimethyloxazol-2-yl)aminosulfonyl]phenyl-(2-chloro-5-nitrophenyl)carboxamide

4-[(2R,3S)-3-Benzyloxy-2-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-4-oxo-azetidin-1-yl]-N-(4,5-dimethyl-oxazol-2-yl)-benzenesulfonamide

Refernces