Metsulfovax

Base Information

• Chemical Name: Metsulfovax
• CAS No.: 21452-18-6
• Molecular Formula: C12H12 N2 O S
• Molecular Weight: 232.306
• Hs Code.: 2934100015
• European Community (EC) Number: 830-044-3
• UNII: SF9FKV756S
• DSSTox Substance ID: DTXSID50175732
• Nikkaji Number: J10.785I
• Wikidata: Q27155729
• ChEMBL ID: CHEMBL1532607
• Mol file: 21452-18-6.mol

Synonyms:Metsulfovax;21452-18-6;2,4-dimethyl-N-phenyl-1,3-thiazole-5-carboxamide;2,4-Dimethyl-N-phenyl-5-thiazolecarboxamide;Metsulfovax [ISO];SF9FKV756S;CHEBI:82075;BRN 0883337;5-Thiazolecarboxanilide, 2,4-dimethyl-;G 696;5-Thiazolecarboxamide, 2,4-dimethyl-N-phenyl-;DCT;2,4-Dimethyl-1,3-thiazole-5-carboxanilide (IUPAC);ALG;2,4-dimethyl-1,3-thiazole-5-carboxanilide;UNII-SF9FKV756S;SCHEMBL23602;MLS000109457;CHEMBL1532607;DTXSID50175732;HMS1674F21;HMS2274L16;AKOS000599385;SMR000105400;LS-150842;2,4-dimethyl-N-phenylthiazole-5-carboxamide;FT-0767298;C18934;EN300-6496685;SR-01000449464;SR-01000449464-1;Q27155729;Z27782130

Chemical Property of Metsulfovax

Chemical Property:

• Vapor Pressure: 0.000825mmHg at 25°C
• Melting Point: 141°C
• Refractive Index: 1.7400 (estimate)
• Boiling Point: 305.4°Cat760mmHg
• PKA: 12.24±0.70(Predicted)
• Flash Point: 138.5°C
• PSA: 73.72000
• Density: 1.265g/cm³
• LogP: 3.39620
• Water Solubility.: 2.454g/L(25 oC)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.06703418
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

99% ^*data from raw suppliers

2,4-DIMETHYL-N-PHENYL-1,3-THIAZOLE-5-CARBOXAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C)C(=O)NC2=CC=CC=C2

Technology Process of Metsulfovax

There total 2 articles about Metsulfovax 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: 52.0%

2,4-dimethyl-thiazole-5-carboxylic acid (53137-27-2) + aniline (62-53-3) → metsulfovax (21452-18-6)

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 18h;

Reference yield:

→ metsulfovax (21452-18-6)

Guidance literature:

Acetoacetanilid, CH3-CS-NH2, SO2Cl2;

Reference yield: 82.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + potassium methanolate (865-33-8) + metsulfovax (21452-18-6) → 2,6-dichlorotoluene (118-69-4)

Guidance literature:

With dimethyl sulfate;

upstream raw materials:

2,4-dimethyl-thiazole-5-carboxylic acid

aniline

Downstream raw materials:

1-chloro-3-methoxy-2-methylbenzene

2,6-dichlorotoluene

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]aniline