2-Bromo-4-chlorobenzothiazole

Base Information

• Chemical Name: 2-Bromo-4-chlorobenzothiazole
• CAS No.: 3622-40-0
• Molecular Formula: C7H3BrClNS
• Molecular Weight: 248.531
• Hs Code.: 29342000
• European Community (EC) Number: 222-822-0
• NSC Number: 523841
• UNII: JAX2228WYY
• DSSTox Substance ID: DTXSID70189775
• Nikkaji Number: J25.694C
• Wikidata: Q83061978
• Mol file: 3622-40-0.mol

Synonyms:3622-40-0;2-Bromo-4-chlorobenzothiazole;2-Bromo-4-chlorobenzo[d]thiazole;2-bromo-4-chloro-1,3-benzothiazole;benzothiazole, 2-bromo-4-chloro-;C7H3BrClNS;JAX2228WYY;EINECS 222-822-0;NSC-523841;2-Bromo-4-chloro-benzothiazole;NSC523841;UNII-JAX2228WYY;SCHEMBL2433144;DTXSID70189775;MFCD00127713;AKOS015898460;NSC 523841;AC-12078;DS-10703;CS-0041465;FT-0647842;EN300-178250;W17198;A874400;J-508273

Chemical Property of 2-Bromo-4-chlorobenzothiazole

Chemical Property:

• Vapor Pressure: 0.000318mmHg at 25°C
• Melting Point: 107-108 °C
• Refractive Index: 1.721
• Boiling Point: 330.5 °C at 760mmHg
• PKA: -2.02±0.10(Predicted)
• Flash Point: 153.7 °C
• PSA: 41.13000
• Density: 1.849 g/cm³
• LogP: 3.71220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 246.88581
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-4-chlorobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-chlorobenzothiazole

There total 4 articles about 2-Bromo-4-chlorobenzothiazole 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: 88.0%

4-chlorobenzo[d]thiazol-2-amine (19952-47-7) → 2-bromo-4-chlorobenzo[d]thiazole (3622-40-0)

Guidance literature:

With N-Bromosuccinimide; sodium nitrite; In N,N-dimethyl-formamide; at 20 ℃; for 6h;

DOI:10.1002/chem.201803347

Reference yield: 65.0%

tert-butyl nitride + 4-chlorobenzo[d]thiazol-2-amine (19952-47-7) + copper(I) bromide (7787-70-4) → 2-bromo-4-chlorobenzo[d]thiazole (3622-40-0)

Guidance literature:

In hexane; ethyl acetate; acetonitrile;

Reference yield:

4-chlorobenzo[d]thiazol-2-amine (19952-47-7) + copper(I) bromide (7787-70-4) → 2-bromo-4-chlorobenzo[d]thiazole (3622-40-0)

Guidance literature:

With sodium nitrite; In water; hydrogen bromide;

upstream raw materials:

4-chlorobenzo[d]thiazol-2-amine

copper(I) bromide

Downstream raw materials:

(4-chloro-benzothiazol-2-yl)-[4-(2-diethylamino-ethoxy)-phenyl]-amine

trans-4-[1-[[3-chloro-4-(4-chloro-2-benzothiazolyl)aminophenyl]acetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid

C₂₈H₃₀Cl₂FN₃O₄S

4-chloro-2-methylbenzo[d]thiazole

Refernces

• 1、 Mukhopadhyay, Sushobhan,Batra, Sanjay. "Direct Transformation of Arylamines to Aryl Halides via Sodium Nitrite and N-Halosuccinimide". supporting information. p. 14622 - 14626. Retrieved 2018/09/21.
• 2、 Arora, Amandeep,Teegardin, Kip A.,Weaver, Jimmie D.. "Reductive Alkylation of 2-Bromoazoles via Photoinduced Electron Transfer: A Versatile Strategy to Csp2-Csp3 Coupled Products". supporting information. p. 3722 - 3725. Retrieved 2015/08/18.