Benzothiazol-2-yl-butyl-amine

Base Information

• Chemical Name: Benzothiazol-2-yl-butyl-amine
• CAS No.: 24622-31-9
• Molecular Formula: C11H14 N2 S
• Molecular Weight: 206.31
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50397119
• Nikkaji Number: J2.793.416A
• Wikidata: Q82198183
• Mol file: 24622-31-9.mol

Synonyms:Benzothiazol-2-yl-butyl-amine;24622-31-9;N-butyl-1,3-benzothiazol-2-amine;N-Butylbenzo[d]thiazol-2-amine;2-(Butylamino)benzothiazole;2-Benzothiazolamine, N-butyl-;SCHEMBL17933751;DTXSID50397119;AKOS000116028;CS-0218986;EN300-02790;SR-01000039337;SR-01000039337-1;Z55177037

Chemical Property of Benzothiazol-2-yl-butyl-amine

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Melting Point: 68 °C
• Boiling Point: 313.5°Cat760mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 143.4°C
• PSA: 56.39000
• Density: 1.177g/cm³
• LogP: 2.93020
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 206.08776963
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

N-butyl-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=NC2=CC=CC=C2S1

Technology Process of Benzothiazol-2-yl-butyl-amine

There total 18 articles about Benzothiazol-2-yl-butyl-amine 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: 97.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + N-butylamine (109-73-9,85404-21-3) → N-butylbenzo[d]thiazol-2-amine (24622-31-9)

Guidance literature:

With copper(l) iodide; potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 3h; Microwave irradiation; Green chemistry;

DOI:10.1002/adsc.201300591

Reference yield: 97.0%

N-n-Butyl-N'-o-bromphenylthioharnstoff (62644-22-8) → N-butylbenzo[d]thiazol-2-amine (24622-31-9)

Guidance literature:

With potassium carbonate; copper(II) oxide; In dimethyl sulfoxide; at 80 ℃; for 10h;

DOI:10.1021/jo901813g

Reference yield: 95.0%

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + butan-1-ol (71-36-3) → N-butylbenzo[d]thiazol-2-amine (24622-31-9)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydroxide; at 150 ℃; for 12h; regioselective reaction; Inert atmosphere;

DOI:10.1039/c1cc14861c

upstream raw materials:

3-n-butyl-1-phenylthiourea

2-iodophenylamine

1,3-dibutylthiourea

2-Mercaptobenzothiazole

Refernces

• 1、 Dandela, Rambabu,Desai, Aman A.,Kapdi, Anant R.,Kori, Santosh,Maity, Dilip K.,Parmar, Udaysinh,Somvanshi, Dipesh. "Room-Temperature Amination of Chloroheteroarenes in Water by a Recyclable Copper(II)-Phosphaadamantanium Sulfonate System". . p. 8900 - 8925. Retrieved 2021/07/20.
• 2、 Xie, Zengyang,Chen, Ruijiao,Ma, Mingfang,Kong, Lingdong,Liu, Jun,Wang, Cunde. "Copper-catalyzed one-pot coupling reactions of aldehydes (ketones), tosylhydrazide and 2-amino(benzo)thiazoles: An efficient strategy for the synthesis of N-alkylated (benzo)thiazoles". . . Retrieved 2019/08/16.