6-Bromo-2-hydrazinyl-1,3-benzothiazole

Base Information

• Chemical Name: 6-Bromo-2-hydrazinyl-1,3-benzothiazole
• CAS No.: 37390-63-9
• Molecular Formula: C7H6 Br N3 S
• Molecular Weight: 244.11
• Hs Code.: 2934200090
• European Community (EC) Number: 819-848-5
• DSSTox Substance ID: DTXSID80365942
• Wikidata: Q72451737
• ChEMBL ID: CHEMBL1241372
• Mol file: 37390-63-9.mol

Synonyms:37390-63-9;6-Bromo-2-hydrazino-1,3-benzothiazole;6-bromo-2-hydrazinyl-1,3-benzothiazole;6-bromo-2-hydrazinylbenzo[d]thiazole;(6-Bromo-benzothiazol-2-yl)-hydrazine;(6-bromo-1,3-benzothiazol-2-yl)hydrazine;6-Bromo-2-hydrazinobenzothiazole;6-Bromo-2-benzothiazolehydrazine;(6-Bromobenzothiazol-2-yl)hydrazine;2(3H)-Benzothiazolone, 6-bromo-, hydrazone;1-(6-BROMOBENZO[D]THIAZOL-2-YL)HYDRAZINE;F1908-0018;SCHEMBL2076551;CHEMBL1241372;DTXSID80365942;YWLCJGPJVPUESW-UHFFFAOYSA-N;MFCD04448804;STK731599;AKOS002391365;FA-0934;BB 0246320;FT-0681004;EN300-237654;F30829;J-518330;5-O-(4,4-Dimethoxytrityl)-N6-benzoyl-2-deoxyadenosine-3-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite

Chemical Property of 6-Bromo-2-hydrazinyl-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 4.54E-06mmHg at 25°C
• Melting Point: 222-223
• Boiling Point: 383°Cat760mmHg
• Flash Point: 185.4°C
• PSA: 79.18000
• Density: 1.891g/cm³
• LogP: 3.11770
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 242.94658
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-2-hydrazino-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Br)SC(=N2)NN

Technology Process of 6-Bromo-2-hydrazinyl-1,3-benzothiazole

There total 3 articles about 6-Bromo-2-hydrazinyl-1,3-benzothiazole 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: 85.0%

2-amino-6-bromobenzothiazole (15864-32-1) → 2-hydrazino-6-bromo-1,3-benzothiazole (37390-63-9)

Guidance literature:

With hydrazine hydrate; hydrazinium sulfate; In ethylene glycol; at 120 ℃; for 2h;

DOI:10.1016/j.bmcl.2007.04.079

Reference yield:

4-bromo-aniline (106-40-1) → 2-hydrazino-6-bromo-1,3-benzothiazole (37390-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 32 percent / Br₂; AcOH / 1 h / cooling

2: 85 percent / NH₂NH₂*H₂O; NH₂NH₂*H₂SO₄ / ethane-1,2-diol / 2 h / 120 °C

With bromine; hydrazine hydrate; acetic acid; hydrazinium sulfate; In ethylene glycol;

DOI:10.1016/j.bmcl.2007.04.079

Reference yield:

1-(4-bromophenyl)thiourea (2646-30-2) → 2-hydrazino-6-bromo-1,3-benzothiazole (37390-63-9)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / Reflux

2: hydrogenchloride; hydrazine hydrate / ethylene glycol

With hydrogenchloride; bromine; hydrazine hydrate; In ethylene glycol;

DOI:10.1111/cbdd.12760

upstream raw materials:

2-amino-6-bromobenzothiazole

4-bromo-aniline

1-(4-bromophenyl)thiourea

Downstream raw materials:

4-methyl-benzaldehyde (6-bromo-benzothiazol-2-yl)-hydrazone

benzaldehyde (6-bromo-benzothiazol-2-yl)-hydrazone

4-bromo-benzaldehyde (6-bromo-benzothiazol-2-yl)-hydrazone

C₁₄H₁₀Br₂N₄S₂