N-ALLYLBENZOTHIAZOLIUM BROMIDE

Base Information

• Chemical Name: N-ALLYLBENZOTHIAZOLIUM BROMIDE
• CAS No.: 16407-55-9
• Molecular Formula: C10H10 N S . Br
• Molecular Weight: 256.16
• Hs Code.: 2934999090
• Mol file: 16407-55-9.mol

Synonyms:Benzothiazolium,3-(2-propenyl)-, bromide (9CI); Benzothiazolium, 3-allyl-, bromide (8CI);3-Allylbenzothiazolium bromide; N-Allylbenzothiazolium bromide

Chemical Property of N-ALLYLBENZOTHIAZOLIUM BROMIDE

Chemical Property:

• Melting Point: 150 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 32.12000
• Density: g/cm³
• LogP: -0.62120

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Allylbenzothiazolium Bromide >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-prop-2-enyl-1,3-benzothiazol-3-ium;bromide is a useful intermediate for organic synthesis. A benzothiazolium salt with antimicrobial properties.

Technology Process of N-ALLYLBENZOTHIAZOLIUM BROMIDE

There total 1 articles about N-ALLYLBENZOTHIAZOLIUM BROMIDE 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: 95.0%

1,3-Benzothiazole (95-16-9) + allyl bromide (106-95-6) → N-prop-2-enyl-1H-benzothiazol-3-ium bromide (16407-55-9)

Guidance literature:

at 80 ℃;

DOI:10.1039/c2dt12354a

Reference yield: 75.0%

N-prop-2-enyl-1H-benzothiazol-3-ium bromide (16407-55-9) + benzaldehyde (100-52-7) → 1-(benzothiazol-2-yl)-1-phenylbut-3-en-1-ol

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol; at 20 - 60 ℃;

DOI:10.1002/anie.201508368

Reference yield: 72.0%

{bis(triphenylphosphine)ruthenium diacetate} + dichloromethane (75-09-2) + N-prop-2-enyl-1H-benzothiazol-3-ium bromide (16407-55-9) → RuBr2(PPh3)2(N-prop-2-enylbenzothiazol-2-ylidene)*0.8CH2Cl2

Guidance literature:

With Na(CH₃CO₂); In tetrahydrofuran; (under N2, Schlenk); mixt. of Ru-complex, NaCH3CO2 and ligand stirred under vac. at 50°C for 1 h, THF added, refluxed overnight, cooled; solvent removed under vac., washed with hexane, redissolved in CH2Cl2, collected, hexane added, slowly diffused within 1-2 wk; elem. anal.;

DOI:10.1039/c2dt12354a

upstream raw materials:

1,3-Benzothiazole

allyl bromide

Downstream raw materials:

C₁₉H₁₉NOS

C₁₇H₁₃Cl₂NOS

C₁₇H₁₄BrNOS

C₁₇H₁₅NO₂S

Refernces

• 1、 Ding, Nini,Zhang, Wenhua,Hor, T. S. Andy. "One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands". experimental part. p. 5988 - 5994. Retrieved 2012/06/04.