2-Bromo-5-fluorobenzo[d]thiazole

Base Information

• Chemical Name: 2-Bromo-5-fluorobenzo[d]thiazole
• CAS No.: 441715-01-1
• Molecular Formula: C7H3BrFNS
• Molecular Weight: 232.0728
• Hs Code.: 29342000
• DSSTox Substance ID: DTXSID40591326
• Wikidata: Q82485079
• Mol file: 441715-01-1.mol

Synonyms:2-Bromo-5-fluorobenzo[d]thiazole;441715-01-1;2-BROMO-5-FLUORO-1,3-BENZOTHIAZOLE;2-BROMO-5-FLUOROBENZOTHIAZOLE;SCHEMBL2432396;DTXSID40591326;CRPBXAYZSUWBMX-UHFFFAOYSA-N;AT22785;AS-76233;EN300-2366272;A872584

Chemical Property of 2-Bromo-5-fluorobenzo[d]thiazole

Chemical Property:

• Vapor Pressure: 0.00227mmHg at 25°C
• Refractive Index: 1.687
• Boiling Point: 298.3 °C at 760 mmHg
• Flash Point: 134.2 °C
• PSA: 41.13000
• Density: 1.832 g/cm³
• LogP: 3.19790
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 230.91536
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

98%Min ^*data from raw suppliers

2-Bromo-5-fluorobenzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)N=C(S2)Br

Technology Process of 2-Bromo-5-fluorobenzo[d]thiazole

There total 3 articles about 2-Bromo-5-fluorobenzo[d]thiazole 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: 63.0%

2-amino-5-fluorobenzothiazole (20358-07-0) → 2-bromo-5-fluoro-1,3-benzothiazole (441715-01-1)

Guidance literature:

With tert.-butylnitrite; copper(I) bromide; In acetonitrile; at 60 ℃; for 1h;

DOI:10.1016/j.bmc.2011.12.045

Reference yield: 63.0%

2-amino-5-fluorobenzothiazole (20358-07-0) + copper(I) bromide (7787-70-4) → 2-bromo-5-fluoro-1,3-benzothiazole (441715-01-1)

Guidance literature:

With tert.-butylnitrite; In hydrogenchloride; hexane; ethyl acetate; acetonitrile;

Reference yield:

2-amino-5-fluorobenzothiazole (20358-07-0) + isopentyl nitrite (110-46-3) → 2-bromo-5-fluoro-1,3-benzothiazole (441715-01-1)

Guidance literature:

With copper(I) bromide; In ethyl acetate; acetonitrile;

upstream raw materials:

2-amino-5-fluorobenzothiazole

copper(I) bromide

isopentyl nitrite

Downstream raw materials:

[5-chloro-4-(5-fluoro-2-benzothiazolyl)amino-2-fluorophenyl]acetic acid ethyl ester

2-(4-aminophenyl)-5-fluorobenzothiazole

C₂₈H₂₉ClF₃N₃O₄S

C₂₈H₃₀ClF₂N₃O₄S

Refernces

• 1、 -. "VLA-4 INHIBITOR". . . Retrieved 2008/06/13.
• 2、 -. "VLA-4 INHIBITORS". . . Retrieved 2008/06/13.