1,3-Dioxolo[4,5-F]benzothiazol-6-amine

Base Information

• Chemical Name: 1,3-Dioxolo[4,5-F]benzothiazol-6-amine
• CAS No.: 50850-94-7
• Molecular Formula: C₈H₆N₂O₂S
• Molecular Weight: 194.214
• Hs Code.: 2934999090
• European Community (EC) Number: 853-782-8
• DSSTox Substance ID: DTXSID90365978
• Wikidata: Q82151022
• Mol file: 50850-94-7.mol

Synonyms:50850-94-7;1,3-DIOXOLO[4,5-F]BENZOTHIAZOL-6-AMINE;[1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-ylamine;1,3-Dioxolo[4,5-f]benzothiazol-6-amine(9CI);[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine;[1,3]dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-amine;F1911-0034;SCHEMBL9185841;DTXSID90365978;GAIRHYOGMGDIGP-UHFFFAOYSA-N;HMS1655F11;AKOS005208480;2-Amino-5,6-methylenedioxybenzthiazole;EN300-237672;F73727;2H-[1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-amine;Z276134136;4,6-dioxa-10-thia-12-azatricyclo[7.3.0.0,3,7]dodeca-1,3(7),8,11-tetraen-11-amine

Chemical Property of 1,3-Dioxolo[4,5-F]benzothiazol-6-amine

Chemical Property:

• Boiling Point: 384.7±50.0 °C(Predicted)
• PKA: 5.29±0.20(Predicted)
• PSA: 85.61000
• Density: 1.622±0.06 g/cm3(Predicted)
• LogP: 2.18840
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 194.01499861
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

[1,3]Dioxolo[4'',5'':4,5]benzo[1,2-d]thiazol-6-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C3C(=C2)N=C(S3)N

Technology Process of 1,3-Dioxolo[4,5-F]benzothiazol-6-amine

There total 4 articles about 1,3-Dioxolo[4,5-F]benzothiazol-6-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: 87.0%

→ [1,3]dioxolo[4’,5’:4,5]benzo[1,2-d]thiazol-6-amine (50850-94-7)

Guidance literature:

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

Reference yield: 41.7%

ammonium thiocyanate (1147550-11-5) + benzo[1,3]dioxolo-5-ylamine (14268-66-7) → [1,3]dioxolo[4’,5’:4,5]benzo[1,2-d]thiazol-6-amine (50850-94-7)

Guidance literature:

With benzyltrimethylazanium tribroman-2-uide; In acetonitrile; at 20 ℃;

Reference yield:

potassium thioacyanate (333-20-0) + benzo[1,3]dioxolo-5-ylamine (14268-66-7) → [1,3]dioxolo[4’,5’:4,5]benzo[1,2-d]thiazol-6-amine (50850-94-7)

Guidance literature:

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

DOI:10.1021/acs.jmedchem.8b01996 DOI:10.1021/acs.jmedchem.8b01996

upstream raw materials:

1-(benzo[d][1,3]dioxol-5-yl)thiourea

ammonium thiocyanate

benzo[1,3]dioxolo-5-ylamine

potassium thioacyanate

Downstream raw materials:

6-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-6H-1,3-dioxolo[4,5-g][1,4]benzothiazin-7(8H)-one.dihydrochloride