(4-Methoxy-benzenesulfonyl)-acetic acid

Base Information

• Chemical Name: (4-Methoxy-benzenesulfonyl)-acetic acid
• CAS No.: 3937-99-3
• Molecular Formula: C9H10O5S
• Molecular Weight: 230.241
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80424649
• Nikkaji Number: J765.253D
• Mol file: 3937-99-3.mol

Synonyms:(4-Methoxy-benzenesulfonyl)-acetic acid;3937-99-3;2-((4-methoxyphenyl)sulfonyl)acetic acid;2-(4-methoxyphenyl)sulfonylacetic acid;2-(4-methoxybenzenesulfonyl)acetic acid;(4-methoxy-benzenesulfonyl)acetic acid;SCHEMBL4592282;DTXSID80424649;4-methoxybenzenesulphonyl acetic acid;MFCD07364114;AKOS000271253;[(4-Methoxyphenyl)sulfonyl]acetic acid;2-((4-methoxyphenyl)sulfonyl)aceticacid;NS-02966;2-[(4-methoxybenzene)sulfonyl]acetic acid;BB 0219370;CS-0302879;FT-0678770;E86018;EN300-237996;BRD-K58639921-001-01-5;F2109-0030

Chemical Property of (4-Methoxy-benzenesulfonyl)-acetic acid

Chemical Property:

• Boiling Point: 478.2±45.0 °C(Predicted)
• PKA: 2.59±0.10(Predicted)
• PSA: 89.05000
• Density: 1.384±0.06 g/cm3(Predicted)
• LogP: 1.63430
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 230.02489459
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

98%min ^*data from raw suppliers

(4-Methoxy-benzenesulfonyl)-aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (4-Methoxy-benzenesulfonyl)-acetic acid

There total 4 articles about (4-Methoxy-benzenesulfonyl)-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:

4-Methoxybenzenethiol (696-63-9) → p-methoxy-phenylsulphonylacetic acid (3937-99-3)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) aq. NaOH, (ii) /BRN= 605438/, aq. NaHCO₃

2: aq. H₂O₂, AcOH, Ac₂O

With dihydrogen peroxide; acetic anhydride; acetic acid;

DOI:10.1002/jps.2600540510

Reference yield:

(4-methoxy-phenylsulfanyl)-acetic acid (3406-77-7) → p-methoxy-phenylsulphonylacetic acid (3937-99-3)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; acetic acid;

DOI:10.1002/jps.2600540510

Reference yield:

sodium 4-methoxy-benzenesulfonate (6140-09-6) + chloroacetic acid (79-11-8) → p-methoxy-phenylsulphonylacetic acid (3937-99-3)

Guidance literature:

With sodium hydroxide; In water; for 2h; Heating;

upstream raw materials:

p-OMeC6H4SOCH2COOH

(4-methoxy-phenylsulfanyl)-acetic acid

sodium 4-methoxy-benzenesulfonate

chloroacetic acid

Downstream raw materials:

methyl 2-((4-methoxyphenyl)sulfonyl)acetate

(E)-1-(2-((4-methoxyphenyl)sulfonyl)vinyl)-4-methoxybenzene

(E)-1-(2-((4-methoxyphenyl)sulfonyl)vinyl)-2-chlorobenzene

(E)-1-(2-((4-methoxyphenyl)sulfonyl)vinyl)-4-chlorobenzene

Refernces

• 1、 Srinavasan, C.,Ganesan, P. K.,Shunmugasundaram, A.,Vairamani, M.. "Mass spectra of arylsulphonylacetic acids and correlation of fragment ions with substituent constants". . p. 141 - 145. Retrieved 2007/10/02.
• 2、 Nobles,Thompson. "Application of Mannich reaction to sulfones II. Role of aromatic aldehydes in condensation.". . p. 709 - 713. Retrieved 2007/10/05.