2-Aminobenzothiazole

Base Information

• Chemical Name: 2-Aminobenzothiazole
• CAS No.: 136-95-8
• Deprecated CAS: 120045-46-7,35858-53-8,35858-53-8
• Molecular Formula: C7H6N2S
• Molecular Weight: 150.204
• Hs Code.: H4NC(NH2)S MOL WT. 150.20
• European Community (EC) Number: 205-268-4
• NSC Number: 4670
• UN Number: 2811
• UNII: 08K5TLY3EQ
• DSSTox Substance ID: DTXSID1024467
• Nikkaji Number: J37.321D
• Wikidata: Q27236407
• ChEMBL ID: CHEMBL329785
• Mol file: 136-95-8.mol

Synonyms:benzo(d)thiazol-2-amine

Chemical Property of 2-Aminobenzothiazole

Chemical Property:

• Appearance/Colour: Odorless gray to white powder
• Vapor Pressure: 0.00331mmHg at 25°C
• Melting Point: 126-129 °C(lit.)
• Refractive Index: 1.609
• Boiling Point: 307.5 °C at 760 mmHg
• PKA: pK1: 4.48(+1) (20°C)
• Flash Point: 139.8 °C
• PSA: 67.15000
• Density: 1.383 g/cm³
• LogP: 2.45970
• Storage Temp.: -20°C
• Solubility.: Soluble in alcohol, chloroform, diethyl ether.
• Water Solubility.: <0.1 g/100 mL at 19℃
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.02516937
• Heavy Atom Count: 10
• Complexity: 129
• Transport DOT Label: Poison

Purity/Quality:

98% ^*data from raw suppliers

2-Aminobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiazoles
• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)N
• Recent ClinicalTrials: Prevention of Lipoatrophy in Patients Treated With Lopinavir/Ritonavir in Monotherapy Versus ZDV + 3TC + ABC
• Uses: An impurity of pramipexole production 2-Aminobenzothiazole was used in the synthesis of cobalt(II) picrate mixed-ligand complexes. It was used to study adsorption of biologically significant 2-aminobenzothiazole molecules on colloidal silver particles using surface-enhanced raman scattering spectroscopy 2-Aminobenzothiazole was used in the synthesis of cobalt(II) picrate mixed-ligand complexes. It was used to study adsorption of biologically significant 2-aminobenzothiazole molecules on colloidal silver particles using surface-enhanced raman scattering spectroscopy.

Technology Process of 2-Aminobenzothiazole

There total 94 articles about 2-Aminobenzothiazole 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: 100.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + thiourea (17356-08-0) → 2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5)

Guidance literature:

With dihydrogen peroxide; iodine; toluene-4-sulfonic acid; In acetonitrile; at 75 ℃; for 24h;

DOI:10.1016/j.bmcl.2014.04.082

Reference yield: 95.6%

monophenylthiourea (103-85-5) → 2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5)

Guidance literature:

With thionyl chloride; at 50 - 55 ℃; for 4h;

Reference yield: 95.0%

bromobenzene (108-86-1,52753-63-6) + 2-iodophenylisothiourea → 2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) + N-phenyl-2-benzothiazolamine (1843-21-6)

Guidance literature:

With 1,10-Phenanthroline; copper(II) acetate monohydrate; caesium carbonate; In dimethyl sulfoxide; Heating;

DOI:10.1039/c8ob02018c

upstream raw materials:

1,3-Benzothiazole

2-chlorobenzo[d][1,3]thiazole

2-thioxo-3H-1,3-benzothiazole

2-nitrophenyl thiocyanate

Downstream raw materials:

4-benzothiazol-2-ylamino-but-3-en-2-one

N,N'-bis-benzothiazol-2-yl-C-phenyl-methanediamine

2-(3-nitro-phenyl)-naphtho[1,2-d]oxazole-5-sulfonic acid benzothiazol-2-ylamide

2-(2-benzothiazole)-1H-isoindole-1,3(2H)-dione

Refernces

• 1、 Alfaifi, S. Y.,Alimuddin,Almalki, Abdulraheem S. A.,Alsharif, Meshari A.,Khan, Salman A.,Kumar, Sanjay,Obaid, Rami J.,Syed, Salauddin,Ullah, Qasim. "Multi-Step Synthesis, Physicochemical investigation and optical properties of pyrazoline derivative: A Donor-π-Acceptor chromophore". . . Retrieved 2020/12/17.
• 2、 Shulga,Simurova,Shulga. "Condensation of 2-Amino-1,3-thiazole Salts and Benzo Analogs with Trifluoroacetylacetone". . p. 364 - 368. Retrieved 2021/04/13.