6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

Base Information

• Chemical Name: 6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine
• CAS No.: 313223-82-4
• Molecular Formula: C₉H₈N₂O₂S
• Molecular Weight: 208.241
• Hs Code.: 2934999090
• European Community (EC) Number: 853-796-4
• Wikidata: Q27467397
• ChEMBL ID: CHEMBL1236743
• Mol file: 313223-82-4.mol

Synonyms:313223-82-4;6,7-dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine;[1,4]Dioxino[2,3-f]benzothiazol-2-amine,6,7-dihydro-(9CI);6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-amine;6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine;Oprea1_128262;Oprea1_253160;F1911-0035;CHEMBL1236743;SCHEMBL20374893;HMS1673A18;AKOS000122822;BS-51395;PD145340;EN300-12446;D97559;AB00075444-01;SR-01000390052;J-518147;SR-01000390052-1;Q27467397;Z56799571;10,13-dioxa-4-thia-6-azatricyclo[7.4.0.0,3,7]trideca-1(9),2,5,7-tetraen-5-amine;X0U

Chemical Property of 6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

Chemical Property:

• Boiling Point: 402.2±55.0 °C(Predicted)
• PKA: 5.33±0.20(Predicted)
• PSA: 86.34000
• Density: 1.515±0.06 g/cm3(Predicted)
• LogP: 1.57980
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

99%, ^*data from raw suppliers

6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2=C(O1)C=C3C(=C2)SC(=N3)N
• Uses: 6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine is used in preparation of Podophyllotoxin derivatives, which are as anticancer compounds.

Technology Process of 6,7-Dihydro[1,4]dioxino[2,3-f][1,3]benzothiazol-2-amine

There total 1 articles about 6,7-Dihydro[1,4]dioxino[2,3-f][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: 44.0%

ammonium thiocyanate (1147550-11-5) + 6-amino-3,4-benzodioxane (22013-33-8) → 6,7-dihydro-[1,4]dioxino[2′,3′:4,5]benzo[1,2-d]thiazol-2-amine (313223-82-4)

Guidance literature:

ammonium thiocyanate; With N-Bromosuccinimide; In acetic acid; at 10 ℃; for 0.5h;

6-amino-3,4-benzodioxane; In acetic acid; at 20 ℃; for 20h;

DOI:10.1021/acs.jmedchem.0c02000

upstream raw materials:

ammonium thiocyanate

6-amino-3,4-benzodioxane

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