Frentizole

Base Information

• Chemical Name: Frentizole
• CAS No.: 26130-02-9
• Molecular Formula: C15H13 N3 O2 S
• Molecular Weight: 299.353
• Hs Code.: 2934999090
• European Community (EC) Number: 666-432-2
• UNII: 7EY946394I
• DSSTox Substance ID: DTXSID5046279
• Nikkaji Number: J20.685G
• Wikidata: Q27268177
• NCI Thesaurus Code: C167023
• ChEMBL ID: CHEMBL128988
• Mol file: 26130-02-9.mol

Synonyms:frentizole;mono-hydrate of frentizole

Chemical Property of Frentizole

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 7.02±0.70(Predicted)
• Flash Point: °C
• PSA: 94.98000
• Density: 1.42g/cm³
• LogP: 4.03550
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 299.07284784
• Heavy Atom Count: 21
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

Frentizole >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3
• Uses: Immunoregulator.

Technology Process of Frentizole

There total 4 articles about Frentizole 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: 91.0%

N-(6-methoxybenzo[d]thiazol-2-yl)-1H-imidazole-1-carboxamide (945404-21-7) + aniline (62-53-3) → Frentizole (26130-02-9)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.2174/1573406413666170109142725

Reference yield: 78.0%

6-methoxybenzothiazol-2-ylamine (1747-60-0) + phenyl isocyanate (103-71-9) → Frentizole (26130-02-9)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃; for 3h;

DOI:10.1039/c8md00142a

Reference yield:

6-methoxybenzothiazol-2-ylamine (1747-60-0) → Frentizole (26130-02-9)

Guidance literature:

Multi-step reaction with 2 steps

1: N,N-dimethyl-formamide; dichloromethane / Reflux

2: N,N-dimethyl-formamide / 60 °C

In dichloromethane; N,N-dimethyl-formamide;

DOI:10.2174/1573406413666170109142725

upstream raw materials:

6-methoxybenzothiazol-2-ylamine

N-(6-methoxybenzo[d]thiazol-2-yl)-1H-imidazole-1-carboxamide

aniline

phenyl isocyanate

Downstream raw materials:

1-(6-hydroxybenzo[d]thiazol-2-yl)-3-phenylurea

Refernces

• 1、 Salah, Mohamed,Abdel-Halim, Mohammad,Engel, Matthias. "Design and synthesis of conformationally constraint Dyrk1A inhibitors by creating an intramolecular H-bond involving a benzothiazole core". . p. 1045 - 1053. Retrieved 2018/06/27.