(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea

Base Information

• Chemical Name: (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea
• CAS No.: 420130-76-3
• Molecular Formula: C9H10N2O2S
• Molecular Weight: 210.25
• European Community (EC) Number: 864-317-3
• Mol file: 420130-76-3.mol

Synonyms:420130-76-3;(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea;1-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)thiourea;(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea;N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea;2,3-dihydro-1,4-benzodioxin-6-ylthiourea;SCHEMBL788995;HMS1763C08;MFCD03305354;AKOS000118726;CS-0219924;EN300-05330;10N-019;A913399;SR-01000041097;SR-01000041097-1;Z56899214;F1906-0003

Chemical Property of (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 210.04629874
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

97% ^*data from raw suppliers

N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC2=C(O1)C=CC(=C2)NC(=S)N

Technology Process of (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea

There total 2 articles about (2,3-Dihydro-benzo[1,4]dioxin-6-yl)-thiourea 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: 75.0%

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylcarbamothioyl)benzamide (713113-96-3) → 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiourea (420130-76-3)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 1h;

DOI:10.1016/j.ejmech.2014.07.025

Reference yield:

6-amino-3,4-benzodioxane (22013-33-8) → 1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiourea (420130-76-3)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane

2: sodium hydroxide; water / ethanol; methanol / 2 h / 45 °C

With water; sodium hydroxide; In methanol; ethanol; dichloromethane;

Reference yield: 65.0%

1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiourea (420130-76-3) + 4-chlorobenzoylmethyl bromide (536-38-9) → 4-(4-chlorophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiazol-2-amine hydrobromide (1623781-01-0)

Guidance literature:

In ethanol; at 80 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.ejmech.2014.07.025

upstream raw materials:

6-amino-3,4-benzodioxane

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylcarbamothioyl)benzamide

Downstream raw materials:

4-(4-chlorophenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)thiazol-2-amine hydrobromide

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