2-(4-(cyclopropylthio)phenyl)acetic acid

Base Information

• Chemical Name: 2-(4-(cyclopropylthio)phenyl)acetic acid
• CAS No.: 868614-27-1
• Molecular Formula: C11H12O2S
• Molecular Weight: 208.281
• Mol file: 868614-27-1.mol

Synonyms:(4-cyclopropylsulfanyl-phenyl)-acetic acid;Benzeneacetic acid,4-(cyclopropylthio);[4-(cyclopropylthio)phenyl]acetic acid;

Chemical Property of 2-(4-(cyclopropylthio)phenyl)acetic acid

Chemical Property:

• Boiling Point: 380.2±25.0 °C(Predicted)
• PKA: 4.26±0.10(Predicted)
• PSA: 62.60000
• Density: 1.28±0.1 g/cm3(Predicted)
• LogP: 2.56820

Purity/Quality:

99% ^*data from raw suppliers

[4-(Cyclopropylsulfanyl)phenyl]aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(4-(cyclopropylthio)phenyl)acetic acid

There total 4 articles about 2-(4-(cyclopropylthio)phenyl)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: 100.0%

ethyl 2-(4-cyclopropylsulfanylphenyl)-2-oxoacetate (745052-94-2) → 2-(4-cyclopropylsulfanylphenyl)acetic acid (868614-27-1)

Guidance literature:

ethyl 2-(4-cyclopropylsulfanylphenyl)-2-oxoacetate; With sodium hydroxide; water; In toluene; at 50 - 60 ℃; for 4h;

With hydrogenchloride; In water; toluene; at 20 ℃; for 18h; pH=7;

Reference yield: 97.0%

2-(4-cyclopropylsulfanylphenyl)-2-oxoacetic acid (868614-26-0) → 2-(4-cyclopropylsulfanylphenyl)acetic acid (868614-27-1)

Guidance literature:

2-(4-cyclopropylsulfanylphenyl)-2-oxoacetic acid; With hydrazine hydrate; potassium hydroxide; at -50 - 80 ℃; for 0.0833333h; Inert atmosphere;

With potassium hydroxide; at 80 - 100 ℃; for 20h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.03.042

Reference yield:

cyclopropylphenylsulfide (14633-54-6) → 2-(4-cyclopropylsulfanylphenyl)acetic acid (868614-27-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: aluminum (III) chloride / dichloromethane / 0.75 h / 0 °C / Inert atmosphere

1.2: 0 - 25 °C / Inert atmosphere

2.1: sodium hydroxide / water; ethanol / 2 h / 60 °C / Inert atmosphere

3.1: hydrazine hydrate; potassium hydroxide / 0.08 h / -50 - 80 °C / Inert atmosphere

3.2: 20 h / 80 - 100 °C / Inert atmosphere

With aluminum (III) chloride; hydrazine hydrate; potassium hydroxide; sodium hydroxide; In ethanol; dichloromethane; water;

DOI:10.1016/j.ejmech.2017.03.042

upstream raw materials:

ethyl 2-(4-cyclopropylsulfanylphenyl)-2-oxoacetate

2-(4-cyclopropylsulfanylphenyl)-2-oxoacetic acid

cyclopropylphenylsulfide

thiophenol

Downstream raw materials:

ethyl 2-(4-(cyclopropylthio)phenyl)acetate

2-(4-cyclopropylsulfanyl-phenyl)-N-((1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-acetamide

2(R)-(4-cyclopropylsulfanylphenyl)-3-((R)-3-oxocyclopentyl)propionic acid

2(R)-(4-cyclopropylsulfonylphenyl)-3-((R)-3-oxocyclopentyl)propionic acid