4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate

Base Information

• Chemical Name: 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate
• CAS No.: 84449-64-9
• Molecular Formula: C28H18O4S
• Molecular Weight: 450.515
• DSSTox Substance ID: DTXSID80432729
• Wikidata: Q72440409
• Mol file: 84449-64-9.mol

Synonyms:84449-64-9;4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate;[4-(6-benzoyloxy-1-benzothiophen-2-yl)phenyl] benzoate;2-(4-Benzoyloxyphenyl)-6-Benzoyloxybenzo[b]thiophene;SCHEMBL7636656;DTXSID80432729;ZKKFYIZBFKMUHT-UHFFFAOYSA-N;2-[4-(BENZOYLOXY)PHENYL]-BENZO[B]THIOPHENE-6-OL 6-BENZOATE;FT-0732380;F16083;6-benzoyloxy-2-(4-benzoyloxyphenyl)-benzo[b]thiophene;6-benzoyloxy-2-(4-benzoyloxyphenyl)benzo[b]thiophene;2-[4-(benzoyloxy)phenyl]-1-benzothiophen-6-yl benzoate;4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenylbenzoate

Chemical Property of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate

Chemical Property:

• Boiling Point: 644.9±45.0 °C(Predicted)
• PSA: 80.84000
• Density: 1.305
• LogP: 7.00670
• Storage Temp.: 2-8°C
• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 450.09258022
• Heavy Atom Count: 33
• Complexity: 661

Purity/Quality:

99% ^*data from raw suppliers

4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC4=C(S3)C=C(C=C4)OC(=O)C5=CC=CC=C5

Technology Process of 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate

There total 5 articles about 4-(6-(Benzoyloxy)benzo[b]thiophen-2-yl)phenyl benzoate 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: 99.0%

benzoyl chloride (98-88-4) + 6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene (63676-22-2) → 6-(benzoyloxy)-2-<4-(benzoyloxy)phenyl>benzothiophene (84449-64-9)

Guidance literature:

With pyridine; dmap; Ambient temperature;

DOI:10.1021/jm00374a021

Reference yield:

α-(3-methoxyphenyl-thio)-4-methoxyacetophenone (63675-73-0) → 6-(benzoyloxy)-2-<4-(benzoyloxy)phenyl>benzothiophene (84449-64-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 69 percent / PPA / 1 h / 85 - 90 °C

2: 71 percent / pyridine hydrochloride / 6 h / 220 °C

3: 99 percent / 4-(dimethylamino)pyridine, pyridine / Ambient temperature

With pyridine; dmap; pyridine hydrochloride;

DOI:10.1021/jm00374a021

Reference yield:

3-methoxybenzenethiol (15570-12-4) → 6-(benzoyloxy)-2-<4-(benzoyloxy)phenyl>benzothiophene (84449-64-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 80.4 percent / KOH / ethanol; H₂O; ethyl acetate / Ambient temperature

2: 69 percent / PPA / 1 h / 85 - 90 °C

3: 71 percent / pyridine hydrochloride / 6 h / 220 °C

4: 99 percent / 4-(dimethylamino)pyridine, pyridine / Ambient temperature

With pyridine; dmap; potassium hydroxide; pyridine hydrochloride; In ethanol; water; ethyl acetate;

DOI:10.1021/jm00374a021

upstream raw materials:

benzoyl chloride

6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene

3-methoxybenzenethiol

α-(3-methoxyphenyl-thio)-4-methoxyacetophenone

Downstream raw materials:

<6-(benzoyloxy)-2-<4-(benzoyloxy)phenyl>benzothien-3-yl><4-<2-(1-pyrrolidinyl)ethoxy>phenyl>methanone hydrochloride

6-benzoyloxy-2-(4-benzoyloxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene, hydrochloride

6-hydroxy-2-(4-hydroxyphenyl)-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzo[b]thiophene

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