(6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid

Base Information

• Chemical Name: (6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid
• CAS No.: 89818-39-3
• Molecular Formula: C₁₁H₉ClO₃S
• Molecular Weight: 256.71
• DSSTox Substance ID: DTXSID20531043
• Wikidata: Q82402596

Synonyms:89818-39-3;(6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid;DTXSID20531043

Chemical Property of (6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid

Chemical Property:

• PSA: 74.77000
• LogP: 3.19040
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 255.9960930
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=CS2)CC(=O)O)Cl

Technology Process of (6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid

There total 2 articles about (6-Chloro-5-methoxy-1-benzothiophen-3-yl)acetic acid 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) + toluene (108-88-3,15644-74-3,16713-13-6) → 5-methoxy-6-chloro-3-methylbenzothiophene (89818-40-6) + 5-methoxy-6-chloro-3-benzothienylacetic acid (89818-39-3) + (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; Further byproducts given; Heating;

DOI:10.1002/jhet.5570200651

upstream raw materials:

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

toluene

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