4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate

Base Information

• Chemical Name: 4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate
• CAS No.: 84449-63-8
• Molecular Formula: C18H14O4S
• Molecular Weight: 326.373
• Hs Code.: 2934999090
• European Community (EC) Number: 814-574-2
• DSSTox Substance ID: DTXSID00432665
• Wikidata: Q72435615
• Mol file: 84449-63-8.mol

Synonyms:4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate;84449-63-8;[4-(6-acetyloxy-1-benzothiophen-2-yl)phenyl] acetate;2-(4-Acetoxyphenyl)-6-Acetoxybenzo[b]thiophene;4-(6-Acetoxybenzo[b]thiophen-2-yl)phenylacetate;SCHEMBL2561003;DTXSID00432665;IMFDWSXWQJFLLZ-UHFFFAOYSA-N;2-[4-(ACETYLOXY)PHENYL]-BENZO[B]THIOPHENE-6-OL 6-ACETATE;AKOS016003277;FT-0727426;F16082;6-acetoxy-2-(4-acetoxyphenyl)benzo[b]thiophene

Chemical Property of 4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate

Chemical Property:

• PSA: 80.84000
• Density: 1.287
• LogP: 4.41890
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 326.06128010
• Heavy Atom Count: 23
• Complexity: 444

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C2=CC3=C(S2)C=C(C=C3)OC(=O)C

Technology Process of 4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate

There total 7 articles about 4-(6-Acetoxybenzo[b]thiophen-2-yl)phenyl acetate 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: 97.0%

acetic anhydride (108-24-7) + 6-hydroxy-2-(4-hydroxyphenyl)benzo[B]-thiophene (63676-22-2) → 6-acetoxy-2-(4-acetoxyphenyl)benzo[b]thiophene (84449-63-8)

Guidance literature:

With pyridine; dmap; Ambient temperature;

DOI:10.1021/jm00374a021

Reference yield: 91.1%

acetic anhydride (108-24-7) + 2-(4'-methoxyphenyl)-6-methoxybenzothiophene (63675-74-1) → 6-acetoxy-2-(4-acetoxyphenyl)benzo[b]thiophene (84449-63-8)

Guidance literature:

2-(4'-methoxyphenyl)-6-methoxybenzothiophene; With pyridine; hydrogenchloride; tributyl-amine; at 170 - 180 ℃;

With water; In ethyl acetate; for 0.25h;

acetic anhydride; With triethylamine; In ethyl acetate; at 25 - 65 ℃; for 1h;

Reference yield:

α-(3-methoxyphenyl-thio)-4-methoxyacetophenone (63675-73-0) → 6-acetoxy-2-(4-acetoxyphenyl)benzo[b]thiophene (84449-63-8)

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

With pyridine; dmap; pyridine hydrochloride;

DOI:10.1021/jm00374a021

upstream raw materials:

acetic anhydride

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

3-methoxybenzenethiol

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

Downstream raw materials:

raloxifene hydrochloride

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

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

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