3-(2-Amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride

Base Information

• Chemical Name: 3-(2-Amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride
• CAS No.: 2196-70-5
• Molecular Formula: C₉H₇FN₂O₂S₂
• Molecular Weight: 258.297
• NSC Number: 111108
• DSSTox Substance ID: DTXSID20296706
• Wikidata: Q82037418
• Mol file: 2196-70-5.mol

Synonyms:2196-70-5;3-(2-Aminothiazol-4-yl)benzene-1-sulfonyl fluoride;3-(2-amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride;NSC111108;starbld0019433;DTXSID20296706;NSC-111108

Chemical Property of 3-(2-Amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride

Chemical Property:

• Vapor Pressure: 1.03E-08mmHg at 25°C
• Boiling Point: 461.9°Cat760mmHg
• Flash Point: 233.1°C
• Density: 1.515g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 257.99329798
• Heavy Atom Count: 16
• Complexity: 344

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)F)C2=CSC(=N2)N

Technology Process of 3-(2-Amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride

There total 1 articles about 3-(2-Amino-1,3-thiazol-4-yl)benzenesulfonyl fluoride 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:

3-bromoacetyl-benzenesulfonyl fluoride (455-82-3) + thiourea (17356-08-0) → 3-(2-amino-thiazol-4-yl)-benzenesulfonyl fluoride (2196-70-5)

Guidance literature:

In 1,4-dioxane; ethanol; Heating;

DOI:10.1021/jo01016a038

Reference yield:

3-(2-amino-thiazol-4-yl)-benzenesulfonyl fluoride (2196-70-5) → 3-{2-[3-(3-amino-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride (2161-72-0)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂ / Raney-Ni / dioxane / 80 °C / 77572.2 Torr

With hydrogen; nickel; In 1,4-dioxane;

DOI:10.1021/jo01016a038

Reference yield:

3-(2-amino-thiazol-4-yl)-benzenesulfonyl fluoride (2196-70-5) → 3-{2-[3-(4-amino-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride (2865-12-5)

Guidance literature:

Multi-step reaction with 2 steps

2: H₂ / Raney-Ni / dioxane / 80 °C / 77572.2 Torr

With hydrogen; nickel; In 1,4-dioxane;

DOI:10.1021/jo01016a038

upstream raw materials:

3-bromoacetyl-benzenesulfonyl fluoride

thiourea

Downstream raw materials:

3-{2-[3-(4-nitro-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride

3-{2-[3-(3-nitro-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride

3-{2-[3-(4-hexadecyloxy-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride

3-{2-[3-(4-methoxy-phenyl)-3-oxo-propionylamino]-thiazol-4-yl}-benzenesulfonyl fluoride