Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine

Base Information

• Chemical Name: Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine
• CAS No.: 6634-87-3
• Molecular Formula: C15H14N2OS
• Molecular Weight: 270.35
• Hs Code.: 2934200090
• NSC Number: 34474
• DSSTox Substance ID: DTXSID40283956
• Wikidata: Q82018720
• Mol file: 6634-87-3.mol

Synonyms:6634-87-3;Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine;N-(4-ethoxyphenyl)-1,3-benzothiazol-2-amine;N-(4-Ethoxyphenyl)benzo[d]thiazol-2-amine;NSC34474;NEWFUCHSIN;Enamine_003039;Oprea1_031387;SCHEMBL5022950;DTXSID40283956;QUFFMFMGOVRDIM-UHFFFAOYSA-N;HMS1402K03;NSC-34474;STL281946;AKOS000115910;CS-0218968;EN300-02751;AB00712361-01;AF-399/15645071;N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)amine;Z56827762

Chemical Property of Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine

Chemical Property:

• Vapor Pressure: 2.45E-07mmHg at 25°C
• Melting Point: 165-167 °C
• Boiling Point: 422.2°C at 760 mmHg
• PKA: 3.00±0.10(Predicted)
• Flash Point: 209.2°C
• PSA: 62.39000
• Density: 1.27g/cm³
• LogP: 4.51160
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.08268425
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2

Technology Process of Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine

There total 7 articles about Benzothiazol-2-yl-(4-ethoxy-phenyl)-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-iodophenylamine (615-43-0) + 1-ethoxy-4-isothiocyanatobenzene (3460-49-9) → N-(4-ethoxyphenyl) benzo[d]thiazol-2-amine (6634-87-3)

Guidance literature:

With 1,10-Phenanthroline; sodium hydrogencarbonate; In water; at 80 ℃; for 2h;

DOI:10.1002/adsc.201200175

Reference yield:

N-(4-ethoxyphenyl)-N'-phenylthiourea (1756-43-0) → N-(4-ethoxyphenyl) benzo[d]thiazol-2-amine (6634-87-3)

Guidance literature:

With carbon disulfide; bromine;

DOI:10.1039/jr9300002190

Reference yield:

2-amino-benzthiazole (136-95-8,102337-98-4,84293-42-5) → N-(4-ethoxyphenyl) benzo[d]thiazol-2-amine (6634-87-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaNO₂; H₂O; aqueous HCl

With hydrogenchloride; water; sodium nitrite;

DOI:10.1039/jr9300002190

upstream raw materials:

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

4-Ethoxyaniline

N-(4-ethoxyphenyl)-N'-phenylthiourea

2-amino-benzthiazole

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