1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide

Base Information

• Chemical Name: 1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide
• CAS No.: 56714-11-5
• Molecular Formula: C10H12N2O2S
• Molecular Weight: 224.283
• DSSTox Substance ID: DTXSID20972159
• ChEMBL ID: CHEMBL4968316

Synonyms:56714-11-5;1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide;1,3,3a,4,9,9a-hexahydrothieno[3,4-b]quinoxaline 2,2-dioxide;1H,3H,3aH,4H,9H,9aH-2lambda6-thieno[3,4-b]quinoxaline-2,2-dione;Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2,2-dioxide;Hexahydro-1,3,3a,4,9,9a thieno(3,4-b)quinoxaline dioxyde-2,2 [French];Hexahydro-1,3,3a,4,9,9a thieno(3,4-b)quinoxaline dioxyde-2,2;CHEMBL4968316;DTXSID20972159;AKOS002670937;AKOS016045288;LS-152546;CS-0229962;EN300-101746;Z1347276670;1,3,3a,4,9,9a-Hexahydro-2H-2lambda~6~-thieno[3,4-b]quinoxaline-2,2-dione

Chemical Property of 1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide

Chemical Property:

• Vapor Pressure: 4.65E-11mmHg at 25°C
• Boiling Point: 523.6°Cat760mmHg
• Flash Point: 270.5°C
• Density: 1.326g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 224.06194880
• Heavy Atom Count: 15
• Complexity: 321

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(CS1(=O)=O)NC3=CC=CC=C3N2

Technology Process of 1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide

There total 2 articles about 1,3,3a,4,9,9a-Hexahydrothieno(3,4-b)quinoxaline 2,2-dioxide 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%

3,4-dibromo-2,3,4,5-tetrahydrothiophene-1,1-dioxide (15091-30-2) + 1,2-diamino-benzene (95-54-5) → 1,3-dihydrothieno<3,4-b>-1,2,3,4-tetrahydroquinoxaline 2,2-dioxide (56714-11-5)

Guidance literature:

In methanol; for 32h; Ambient temperature;

DOI:10.1016/S0040-4020(01)89264-4

Reference yield:

→ 1,3-dihydrothieno<3,4-b>-1,2,3,4-tetrahydroquinoxaline 2,2-dioxide (56714-11-5)

Guidance literature:

/BRN= 119352/,/BRN= 606074/;

Reference yield: 74.0%

hexahydro-1,3,3a,4,9,9a thieno <3,4-b> quinoxaline dioxyde-2,2 (56714-11-5) + 4-chloro-benzoyl chloride (122-01-0) → parachlorobenzoyl-4 hexahydro-1,3,3a,4,9,9a thieno <3,4-b> quinoxaline dioxyde-2,2 (129303-28-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 18h; Ambient temperature;

DOI:10.1016/0223-5234(90)90208-K

upstream raw materials:

3,4-dibromo-2,3,4,5-tetrahydrothiophene-1,1-dioxide

1,2-diamino-benzene

Downstream raw materials:

2,3-dimethylquinoxaline

quinoxalino-<2,3-c>-cyclobutene

parachlorobenzoyl-4 hexahydro-1,3,3a,4,9,9a thieno <3,4-b> quinoxaline dioxyde-2,2

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