3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid

Base Information

Chemical Name:3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid
CAS No.:96122-62-2
Molecular Formula:C₁₆H₁₄O₅S
Molecular Weight:318.35
Hs Code.:
DSSTox Substance ID:DTXSID101215411

Synonyms:3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid;DTXSID101215411;96122-62-2

Suppliers and Price of 3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:318.05619472
Heavy Atom Count:22
Complexity:400

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CC(=O)O)SC2=CC=CC=C2C(=O)O

Technology Process of 3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic acid

There total 1 articles about 3-[(2-Carboxyphenyl)thio]-4-methoxybenzeneacetic 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: 79.0%

: 96122-61-1
2-(3-iodo-4-methoxyphenyl)acetic acid

: 147-93-3
Thiosalicylic acid

: 96122-62-2
<3-(2-carboxyphenylthio)-4-methoxyphenyl>acetic acid

Guidance literature:: With potassium hydroxide; copper; In water; for 7h; Heating;
DOI:10.1135/cccc19842531

Reference yield: 74.0%

: 96122-62-2
<3-(2-carboxyphenylthio)-4-methoxyphenyl>acetic acid

: 96122-63-3
<3-(2-carboxyphenylthio)-4-hydroxyphenyl>acetic acid

Guidance literature:: With hydrogen bromide; In acetic anhydride; acetic acid; at 90 - 100 ℃; for 3h;
DOI:10.1135/cccc19842531

Reference yield:

: 96122-62-2
<3-(2-carboxyphenylthio)-4-methoxyphenyl>acetic acid

: 96122-65-5
<4-acetoxy-2-(2-carboxyphenylthio)phenyl>acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 74 percent / 48percent HBr / acetic acid; acetic anhydride / 3 h / 90 - 100 °C

2: 47 percent / 4.5 h / Heating

With hydrogen bromide; In acetic anhydride; acetic acid;
DOI:10.1135/cccc19842531