3-Mercapto-4-methoxybenzeneacetic acid

Base Information

• Chemical Name: 3-Mercapto-4-methoxybenzeneacetic acid
• CAS No.: 104967-36-4
• Molecular Formula: C₉H₁₀O₃S
• Molecular Weight: 198.243
• DSSTox Substance ID: DTXSID501284400
• Mol file: 104967-36-4.mol

Synonyms:3-Mercapto-4-methoxybenzeneacetic acid;DTXSID501284400;AKOS005216495;104967-36-4

Chemical Property of 3-Mercapto-4-methoxybenzeneacetic acid

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 198.03506535
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CC(=O)O)S

Technology Process of 3-Mercapto-4-methoxybenzeneacetic acid

There total 5 articles about 3-Mercapto-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: 69.0%

(3-chlorosulfonyl-4-methoxy-phenyl)-acetic acid (104967-35-3) → (3-mercapto-4-methoxy-phenyl)-acetic acid (104967-36-4)

Guidance literature:

With phosphorus; In acetic acid; for 3h; Heating;

DOI:10.1135/cccc19851484

Reference yield:

2-(3-amino-4-methoxyphenyl)acetic acid (63304-81-4) → (3-mercapto-4-methoxy-phenyl)-acetic acid (104967-36-4)

Guidance literature:

With hydrogenchloride; sodium nitrite; anschliessend Behandeln mit alkal. wss. Natriumpolysulfid-Loesung und Erhitzen des Reaktionsprodukts mit Zink und Essigsaeure;

DOI:10.1021/jo01212a006

Reference yield:

4-Methoxyphenylacetic acid (104-01-8) → (3-mercapto-4-methoxy-phenyl)-acetic acid (104967-36-4)

Guidance literature:

Multi-step reaction with 3 steps

1: acetic acid; nitric acid / <0

2: palladium; methanol / Hydrogenation

3: aqueous hydrochloric acid; sodium nitrite / anschliessend Behandeln mit alkal. wss. Natriumpolysulfid-Loesung und Erhitzen des Reaktionsprodukts mit Zink und Essigsaeure

With hydrogenchloride; methanol; nitric acid; palladium; acetic acid; sodium nitrite;

DOI:10.1021/jo01212a006

upstream raw materials:

2-(3-amino-4-methoxyphenyl)acetic acid

(3-chlorosulfonyl-4-methoxy-phenyl)-acetic acid

4-Methoxyphenylacetic acid

2-(4-methoxyphenyl)acetamide

Downstream raw materials:

[3-(3-carboxy-2-nitro-phenylsulfanyl)-4-methoxy-phenyl]-acetic acid

<3-(2-Iodobenzylthio)-4-methoxyphenyl>acetic Acid