Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)acetate

Base Information

• Chemical Name: Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)acetate
• CAS No.: 89818-41-7
• Molecular Formula: C₁₃H₁₃ClO₃S
• Molecular Weight: 284.763
• DSSTox Substance ID: DTXSID30531039
• Wikidata: Q82402589

Synonyms:89818-41-7;Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)acetate;DTXSID30531039

Chemical Property of Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)acetate

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 284.0273931
• Heavy Atom Count: 18
• Complexity: 300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC1=CSC2=CC(=C(C=C21)OC)Cl

Technology Process of Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)acetate

There total 2 articles about Ethyl (6-chloro-5-methoxy-1-benzothiophen-3-yl)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: 5.0%

ethyl 4-(3'-chloro-4'-methoxyphenylthio)acetoacetate (89818-38-2) → 5-methoxy-6-chloro-3-methylbenzothiophene (89818-40-6) + 5-methoxy-6-chloro-3-benzothienylacetic acid (89818-39-3) + ethyl 5-methoxy-6-chloro-3-benzothienylacetate (89818-41-7) + p-(4-chloro-5-methoxy-3-benzothienylacetyl)toluene (89818-42-8)

Guidance literature:

With phosphorus pentaoxide; In toluene; for 24h; Further byproducts given. Yields of byproduct given; Heating;

DOI:10.1002/jhet.5570200651

Reference yield: 5.0%

ethyl 4-(3'-chloro-4'-methoxyphenylthio)acetoacetate (89818-38-2) → 5-methoxy-6-chloro-3-methylbenzothiophene (89818-40-6) + ethyl 5-methoxy-6-chloro-3-benzothienylacetate (89818-41-7) + (4-Chloro-5-methoxy-benzo[b]thiophen-3-yl)-acetic acid ethyl ester + p-(4-chloro-5-methoxy-3-benzothienylacetyl)toluene (89818-42-8)

Guidance literature:

With phosphorus pentaoxide; In toluene; for 24h; Yield given. Further byproducts given; Heating;

DOI:10.1002/jhet.5570200651

Reference yield:

ethyl 5-methoxy-6-chloro-3-benzothienylacetate (89818-41-7) → 5-methoxy-6-chloro-3-β-acetamidoethylbenzothiophene (85741-12-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 85 percent / ammonia / ethane-1,2-diol; ethanol / Ambient temperature; overnight

2: 81 percent / borane/dimethyl sulfide / tetrahydrofuran / 4 h / Heating

3: 82 percent / sodium acetate / H₂O / 1 h / Ambient temperature

With dimethylsulfide; borane; ammonia; sodium acetate; In tetrahydrofuran; ethanol; water; ethylene glycol;

DOI:10.1002/jhet.5570200651

upstream raw materials:

ethyl 4-(3'-chloro-4'-methoxyphenylthio)acetoacetate

Downstream raw materials:

5-methoxy-6-chloro-3-β-acetamidoethylbenzothiophene

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