6-Phenoxybenzo[d]thiazol-2-amine

Base Information

• Chemical Name: 6-Phenoxybenzo[d]thiazol-2-amine
• CAS No.: 65948-19-8
• Molecular Formula: C13H10N2OS
• Molecular Weight: 242.301
• Hs Code.: 2934200090
• European Community (EC) Number: 851-367-6
• DSSTox Substance ID: DTXSID40368191
• Wikidata: Q82154561
• ChEMBL ID: CHEMBL1445652
• Mol file: 65948-19-8.mol

Synonyms:6-Phenoxybenzo[d]thiazol-2-amine;65948-19-8;6-phenoxy-1,3-benzothiazol-2-amine;6-Phenoxy-benzothiazol-2-ylamine;2-Benzothiazolamine, 6-phenoxy-;MLS000054260;Enamine_002513;Oprea1_530937;2-Amino-6-phenoxybenzothiazole;SCHEMBL7285684;CHEMBL1445652;DTXSID40368191;AGCIBKULIKCGAH-UHFFFAOYSA-N;HMS1401C05;HMS2188O16;MFCD02765687;STL582148;AKOS000116006;IDI1_006860;DS-17456;SMR000066203;CS-0156075;EN300-02466;AB00421190-05;A867565;SR-01000032474;SR-01000032474-1;Z56827140

Chemical Property of 6-Phenoxybenzo[d]thiazol-2-amine

Chemical Property:

• PSA: 77.11000
• LogP: 3.60090
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 242.05138412
• Heavy Atom Count: 17
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

6-Phenoxy-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)N

Technology Process of 6-Phenoxybenzo[d]thiazol-2-amine

There total 11 articles about 6-Phenoxybenzo[d]thiazol-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: 89.0%

ammonium thiocyanate (1147550-11-5) + 4-phenoxyanilin (139-59-3) → 2-Amino-6-phenoxybenzothiazole (65948-19-8)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; In acetonitrile; at 20 ℃; for 18h; Irradiation;

DOI:10.1016/j.tetlet.2020.151700

Reference yield: 88.0%

→ 2-Amino-6-phenoxybenzothiazole (65948-19-8)

Guidance literature:

With bromine; acetic acid; at 0 - 20 ℃;

Reference yield: 73.5%

potassium thioacyanate (333-20-0) + 4-phenoxyanilin (139-59-3) → 2-Amino-6-phenoxybenzothiazole (65948-19-8)

Guidance literature:

potassium thioacyanate; 4-phenoxyanilin; With acetic acid; aniline; at 20 ℃; for 0.5h;

With bromine; at 0 - 20 ℃; for 48h;

upstream raw materials:

4-phenoxyanilin

4-aminophenyl phenyl sulfide

4-amino-4'-chlorodiphenyl ether

4-(m-tolyloxy)aniline

Downstream raw materials:

2-amino-5-phenoxybenzenethiol

C₁₃H₁₁N₃OS

(3-{4-[(6-phenoxybenzothiazol-2-ylamino)methyl]phenoxy}propyl)carbamic acid tert-butyl ester

N-butyl-6-phenoxybenzo[d]thiazol-2-amine

Refernces

• 1、 -. "A Novel Difluoroacetic Acid Derivatives Compound, and Composition Comprising the Same". Paragraph 0086-0091; 0096; 0097. . Retrieved 2020/04/23.
• 2、 -. "PHENYLIMIDE-CONTAINING BENZOTHIAZOLE DERIVATIVE OF ITS SALT AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME". Paragraph 0168-0169. . Retrieved 2015/02/18.