Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide

Base Information

• Chemical Name: Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide
• CAS No.: 155857-53-7
• Molecular Formula: C₂₆H₂₅N₃O₅S₂
• Molecular Weight: 523.634
• Mol file: 155857-53-7.mol

Synonyms:155857-53-7;Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide;C26H25N3O5S3;C26-H25-N3-O5-S3;LS-152358

Chemical Property of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide

Chemical Property:

• Vapor Pressure: 1.15E-27mmHg at 25°C
• Refractive Index: 1.756
• Boiling Point: 829.4 °C at 760 mmHg
• Flash Point: 455.4 °C
• Density: 1.58 g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 523.12356325
• Heavy Atom Count: 36
• Complexity: 1300

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C3=C1C(C=NC=C(C3=CO2)OC)C4=C5C(=C(C=C4)OC)C6C(S5(=O)=O)SC(=C6C#N)N
• Isomeric SMILES: CC1CCC2C3=C1C(C=N/C=C(\C3=CO2)/OC)C4=C5C(=C(C=C4)OC)C6C(S5(=O)=O)SC(=C6C#N)N

Technology Process of Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-dioxide

There total 1 articles about Thieno(2,3-b)(1)benzothiophene-3-carbonitrile, 3a,8a-dihydro-2-amino-4-methoxy-7-(10-methoxy-5-methyl-4,5,6,7-tetrahydro-3H-furo(4,3,2-fg)(3)benzazocin-6-yl)-, 8,8-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%

10-methoxy-6(4'-methoxy-benzo-2'-hydrothiophen-3'-on-S,S-dioxido)-5-methyl-3,4,6,7-tetrahydro-5H-furo(4.3.2-fg)-(3)-benzazacine (107672-79-7,155857-35-5) + malononitrile (109-77-3) → 10-methoxy-6<7'-(4'-methoxy-2'-amino-3'-cyanobenzothieno<2,3-c>thiophene-8',8'-dioxido)>-5-methyl-3,4,6,7-tetrahydro-5H-furo<4,3,2-f,g><3>benzazocine (155857-53-7)

Guidance literature:

With sulfur; dimethyl amine; In ethanol; at 40 ℃; for 5h;

DOI:10.1007/BF00780573

upstream raw materials:

10-methoxy-6(4'-methoxy-benzo-2'-hydrothiophen-3'-on-S,S-dioxido)-5-methyl-3,4,6,7-tetrahydro-5H-furo(4.3.2-fg)-⁽³⁾-benzazacine

malononitrile

Refernces