2-Propylbenzo[d]thiazole

Base Information

• Chemical Name: 2-Propylbenzo[d]thiazole
• CAS No.: 17229-76-4
• Molecular Formula: C10H11 N S
• Molecular Weight: 177.27
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30496775
• Nikkaji Number: J1.448.547C
• Wikidata: Q82345877
• Mol file: 17229-76-4.mol

Synonyms:2-Propylbenzo[d]thiazole;17229-76-4;2-Propyl-1,3-benzothiazole;Benzothiazole, 2-propyl-;2-Propylbenzothiazole;Benzothiazole, 2-propyl- (6CI,7CI,8CI,9CI);Benzothiazole,2-propyl;SCHEMBL12511;DTXSID30496775;MFCD15146801;AKOS022174956;AS-8475;CS-0328545;FT-0696235;I11407

Chemical Property of 2-Propylbenzo[d]thiazole

Chemical Property:

• PSA: 41.13000
• LogP: 3.24880
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-Propyl-1,3-benzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC2=CC=CC=C2S1

Technology Process of 2-Propylbenzo[d]thiazole

There total 60 articles about 2-Propylbenzo[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: 98.0%

butyraldehyde (123-72-8) + 2-amino-benzenethiol (137-07-5) → 2-propylbenzo[d]thiazole (17229-76-4)

Guidance literature:

With copper(II) ferrite; oxygen; In toluene; at 110 ℃; for 24h; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1039/c4ra00559g

Reference yield: 95.0%

2-propyl-2,3-dihydro-1,3-benzo[d]thiazole (91819-29-3) → 2-propylbenzo[d]thiazole (17229-76-4)

Guidance literature:

With pyridinium chlorochromate supported on silica gel; In dichloromethane; at 20 ℃;

DOI:10.13005/ojc/320220

Reference yield: 80.0%

2-iodophenylamine (615-43-0) + benzyl tri-n-butylammonium bromide (25316-59-0) → 2-propylbenzo[d]thiazole (17229-76-4) + 2-Phenylbenzothiazole (883-93-2)

Guidance literature:

With sulfur; potassium hydroxide; In water; at 140 ℃; for 14h; Green chemistry;

DOI:10.1039/c4ra04145c

upstream raw materials:

N-phenylthiobutyramide

zinc 2-aminobenzenethiolate

butyryl chloride

butyric acid

Downstream raw materials:

2-(sec-butyl)benzo[d]thiazole

2-(1-Trimethylsilanyloxy-propyl)-benzothiazole

C₃₆H₅₂N₂S₂

1-phenyl-2-(2-benzothiazolyl)butan-1-ol