Carboxytolbutamide

Base Information

• Chemical Name: Carboxytolbutamide
• CAS No.: 2224-10-4
• Molecular Formula: C12H16 N2 O5 S
• Molecular Weight: 300.335
• Hs Code.: 29242990
• European Community (EC) Number: 621-182-3
• UNII: JGR4FM80VY
• DSSTox Substance ID: DTXSID10176780
• Nikkaji Number: J545.264C
• Wikidata: Q27281500
• Metabolomics Workbench ID: 49577
• Mol file: 2224-10-4.mol

Synonyms:1-butyl-3-(4-carboxyphenyl)sulfonylurea;4-(((butylamino)carbonyl)amino)sulfonylbenzoic acid;carboxytolbutamide;tolbutamide carboxylic acid

Chemical Property of Carboxytolbutamide

Chemical Property:

• Melting Point: 210-212 °C
• Boiling Point: °Cat760mmHg
• PKA: 3.46±0.10(Predicted)
• Flash Point: °C
• PSA: 120.95000
• Density: 1.337g/cm³
• LogP: 3.03540
• Storage Temp.: 2-8°C
• Solubility.: methanol: soluble
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 300.07799279
• Heavy Atom Count: 20
• Complexity: 435

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-CarboxyTolbutamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O
• Uses: A metabolite of Tolbutamide. Formed by the cytochrome CYP2CIIC8 and IIC9 subfamily of P450 enzymes. A metabolite of Tolbutamide. Formed by the cytochrome CYP2CIIC8 and IIC9 subfamily of P450 enzymes

Technology Process of Carboxytolbutamide

There total 6 articles about Carboxytolbutamide 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:

methyl 4-sulfamoylbenzoate (22808-73-7) → Carboxytolbutamide (2224-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / potassium carbonate / tetrahydrofuran / Heating

2: potassium carbonate, aq. EtOH

With ethanol; potassium carbonate; In tetrahydrofuran;

DOI:10.1248/cpb.31.2518

Reference yield:

n-butyl isocyanide (111-36-4) → Carboxytolbutamide (2224-10-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / potassium carbonate / tetrahydrofuran / Heating

2: potassium carbonate, aq. EtOH

With ethanol; potassium carbonate; In tetrahydrofuran;

DOI:10.1248/cpb.31.2518

Reference yield:

methyl 4-butylaminocarbonylaminosulfonylbenzoate (88241-94-5) → Carboxytolbutamide (2224-10-4)

Guidance literature:

With ethanol; potassium carbonate;

DOI:10.1248/cpb.31.2518

upstream raw materials:

4-(butylcarbamoyl-sulfamoyl)-benzoic acid ethyl ester

methyl 4-butylaminocarbonylaminosulfonylbenzoate

methyl 4-sulfamoylbenzoate

n-butyl isocyanide

Refernces