n-Propyl-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: n-Propyl-1,3-benzothiazol-2-amine
• CAS No.: 24622-33-1
• Molecular Formula: C₁₀H₁₂N₂S
• Molecular Weight: 192.285
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID701309064
• Nikkaji Number: J103.937G
• Mol file: 24622-33-1.mol

Synonyms:n-Propyl-1,3-benzothiazol-2-amine;24622-33-1;2-(propylamino)benzothiazole;2-Benzothiazolamine, n-propyl-;Benzothiazole, 2-(propylamino)-;2-Benzothiazolamine,N-propyl-(9CI);benzothiazolyl-propyl-amine;N-Propyl-2-benzothiazolamine;Oprea1_196383;Oprea1_489028;SCHEMBL1664350;DTXSID701309064;HMS1673F10;AKOS000125788;n-Propyl-1,3-benzothiazol-2-amine #;BB 0218479

Chemical Property of n-Propyl-1,3-benzothiazol-2-amine

Chemical Property:

• Melting Point: 79-80 °C
• Boiling Point: 298.3±23.0 °C(Predicted)
• PKA: 3.50±0.10(Predicted)
• PSA: 56.39000
• Density: 1.211±0.06 g/cm3(Predicted)
• LogP: 2.54010
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.07211956
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

2-BENZOTHIAZOLAMINE, N-PROPYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCNC1=NC2=CC=CC=C2S1

Technology Process of n-Propyl-1,3-benzothiazol-2-amine

There total 8 articles about n-Propyl-1,3-benzothiazol-2-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: 92.0%

→ N-propylbenzo[d]thiazol-2-amine (24622-33-1)

Guidance literature:

With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield: 83.0%

1,3-Benzothiazole (95-16-9) + CuCl2*2C3H9N*2ClH → N-propylbenzo[d]thiazol-2-amine (24622-33-1)

Guidance literature:

With potassium carbonate; In acetonitrile; at 30 ℃; for 5h;

DOI:10.1039/c3ra41496e

Reference yield: 80.0%

propylamine (107-10-8,42939-71-9) + phenyl isothiocyanate (103-72-0) → N-propylbenzo[d]thiazol-2-amine (24622-33-1)

Guidance literature:

With 1-butyl-3-methylimidazolium tribromide; In various solvent(s); at 20 ℃; for 10h;

DOI:10.1002/jhet.5570430447

upstream raw materials:

N-n-propyl-N'-phenylthiourea

propylamine

phenyl isothiocyanate

carbon disulfide

Downstream raw materials:

C₁₁H₁₄N₂S

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