3-Benzylthiazolium Bromide

Base Information

• Chemical Name: 3-Benzylthiazolium Bromide
• CAS No.: 75066-50-1
• Molecular Formula: C10H10 N S . Br
• Molecular Weight: 256.166
• Hs Code.: 2934100090
• European Community (EC) Number: 678-048-2
• DSSTox Substance ID: DTXSID70469382
• Mol file: 75066-50-1.mol

Synonyms:3-Benzylthiazolium Bromide;75066-50-1;3-Benzylthiazol-3-ium bromide;3-benzyl-1,3-thiazol-3-ium;bromide;3-Benzylthiazolium Bromide ,;Benzylthiazoliumbromide;3-Benzylthiazol-3-iumbromide;SCHEMBL3934457;DTXSID70469382;MFCD01631293;AKOS025394828;B1939;CS-0455493;D88879

Chemical Property of 3-Benzylthiazolium Bromide

Chemical Property:

• Melting Point: 155.0 to 159.0 °C
• PSA: 32.12000
• LogP: -0.91210
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 254.97173
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

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

3-Benzylthiazolium Bromide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C[N+]2=CSC=C2.[Br-]

Technology Process of 3-Benzylthiazolium Bromide

There total 2 articles about 3-Benzylthiazolium 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:

1,3-thiazole (288-47-1) + benzyl bromide (100-39-0) → N-benzylthiazolium bromide (75066-50-1)

Guidance literature:

DOI:10.1021/jo01312a024

Reference yield:

→ N-benzylthiazolium bromide (75066-50-1)

Guidance literature:

/BRN= 3716982/;

Reference yield: 99.0%

p-toluenesulfonic acid monohydrate (6192-52-5) + N-benzylthiazolium bromide (75066-50-1) → 3-benzylthiazolium paratoluenesulfonate

Guidance literature:

In water; at 20 ℃; for 4h; Inert atmosphere;

upstream raw materials:

1,3-thiazole

benzyl bromide

Refernces

• 1、 Shinkai, Seiji,Yamashita, Takaharu,Kusano, Yumiko,Manabe, Osamu. "Coenzyme Models. 26. Facile Oxidation of Aldehydes and α-Keto Acids by Flavin as Catalyzed by Thiazolium Ion and Cationic Micelle". . p. 4947 - 4952. Retrieved 2007/10/02.