2-Benzo(a)anthracen-7-yl-1-benzothiophene

Base Information

• Chemical Name: 2-Benzo(a)anthracen-7-yl-1-benzothiophene
• CAS No.: 5691-34-9
• Molecular Formula: C22H18ClN3O3S
• Molecular Weight: 360.4702
• NSC Number: 99527
• UNII: SCU5WA0R00
• DSSTox Substance ID: DTXSID50205447
• Wikidata: Q83079024
• Mol file: 5691-34-9.mol

Synonyms:2-Benzo(a)anthracen-7-yl-1-benzothiophene;5691-34-9;SCU5WA0R00;NSC99527;NSC 99527;UNII-SCU5WA0R00;2-Benzo[a]anthracen-7-yl-1-benzothiophene;NSC-99527;2-BENZ(A)ANTHRACEN-7-YLBENZO(B)THIOPHENE;2-BENZ[A]ANTHRACEN-7-YLBENZO[B]THIOPHENE;DTXSID50205447;2-benzo[a]anthracen-7-ylbenzothiophene;BENZO(B)THIOPHENE, 2-BENZ(A)ANTHRACEN-7-YL-

Chemical Property of 2-Benzo(a)anthracen-7-yl-1-benzothiophene

Chemical Property:

• Vapor Pressure: 1.68E-12mmHg at 25°C
• Boiling Point: 572°Cat760mmHg
• Flash Point: 228.2°C
• Density: 1.284g/cm³
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 360.09727168
• Heavy Atom Count: 27
• Complexity: 528

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC6=CC=CC=C6S5

Technology Process of 2-Benzo(a)anthracen-7-yl-1-benzothiophene

There total 2 articles about 2-Benzo(a)anthracen-7-yl-1-benzothiophene 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: 83.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2-(tetraphene-7-yl)thiophene (3865-89-2) → 2-(tetraphen-7-yl)benzo[b]thiophene (5691-34-9)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 0 - 20 ℃; for 2h; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/ol501006t

Reference yield:

→ 2-(tetraphen-7-yl)benzo[b]thiophene (5691-34-9)

Guidance literature:

<2-(1-Naphthyl-methyl)-phenyl>-<2-benzothienyl>-keton durch thermische Cyclodehydratation;

DOI:10.1021/jo01343a011

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

2-(tetraphene-7-yl)thiophene