4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine

Base Information

• Chemical Name: 4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine
• CAS No.: 185613-91-6
• Molecular Formula: C10H8N2O2S
• Molecular Weight: 220.252
• Hs Code.: 2934100090
• European Community (EC) Number: 672-116-5
• DSSTox Substance ID: DTXSID20352477
• Nikkaji Number: J3.027.785F
• Wikidata: Q82129646
• Mol file: 185613-91-6.mol

Synonyms:185613-91-6;4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine;4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine;4-benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine;4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine;2-Thiazolamine, 4-(1,3-benzodioxol-5-yl)-;4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine;MFCD01366560;thiazol-2-amine, 8;CBMicro_000870;Oprea1_309604;Oprea1_858260;SCHEMBL5329732;BDBM31178;DTXSID20352477;SMSF0008466;STK727060;AKOS000122148;CB02501;BIM-0000925.P001;4-Benzo[1,3]dioxol-5-ylthiazol-2-ylamine;2-amino-4-benzo[1,3]dioxol-5-yl-thiazole;5-(2-amino-4-thiazolyl)-1,3-benzodioxole;CS-0073867;FT-0710582;EN300-02263;C73569;AB00724442-01;4-(1,3-dioxaindan-5-yl)-1,3-thiazol-2-amine;A921108;SR-01000407646;11T-0317;SR-01000407646-1;Z48847698;F0825-0004

Chemical Property of 4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine

Chemical Property:

• PSA: 85.61000
• LogP: 2.70220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 220.03064868
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

4-Benzo[1,3]dioxol-5-yl-thiazol-2-yl-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C3=CSC(=N3)N

Technology Process of 4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine

There total 5 articles about 4-Benzo[1,3]dioxol-5-yl-thiazol-2-ylamine 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: 79.0%

1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone (40288-65-1) + thiourea (17356-08-0) → 4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine (185613-91-6)

Guidance literature:

In ethanol; for 2h; Reflux;

DOI:10.1021/acs.jmedchem.8b01960

Reference yield: 55.0%

C11H12O4S + thiourea (17356-08-0) → 4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine (185613-91-6)

Guidance literature:

With dirhodium tetraacetate; In 1,2-dichloro-ethane; at 80 ℃; for 24h; chemoselective reaction; Schlenk technique;

DOI:10.1016/j.cclet.2021.02.052

Reference yield:

thiourea (17356-08-0) + 1-(3,4-methylenedioxyphenyl)-2-iodoethanone → 4-(benzo[d][1,3]dioxol-5-yl)thiazol-2-amine (185613-91-6)

Guidance literature:

With iodine; copper(II) oxide; In ethanol; at 78 ℃;

DOI:10.1016/j.tet.2011.10.074

upstream raw materials:

1-(benzo[d][1,3]dioxol-6-yl)ethanone

thiourea

1-(benzo[1,3]dioxol-5-yl)-2-bromoethanone

3,4-(methylenedioxy)benzoyl chloride

Downstream raw materials:

2-[4-(benzo[1,3]dioxol-5-yl)-thiazol-2-ylaminocarbonyl]-benzoic acid