3-(4-(Methylsulfonyl)phenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-(Methylsulfonyl)phenyl)propanoic acid
• CAS No.: 387350-46-1
• Molecular Formula: C10H12O4S
• Molecular Weight: 228.269
• Hs Code.: 2916399090
• European Community (EC) Number: 674-430-8
• DSSTox Substance ID: DTXSID90371731
• Wikidata: Q82159171
• Mol file: 387350-46-1.mol

Synonyms:387350-46-1;3-(4-(Methylsulfonyl)phenyl)propanoic acid;3-[4-(METHYLSULFONYL)PHENYL]PROPANOIC ACID;3-(4-methylsulfonylphenyl)propanoic acid;3-{4-(Methylsulfonyl)benzene}-1-propanoic acid;BENZENEPROPANOIC ACID, 4-(METHYLSULFONYL)-;4-(methylsulfonyl)benzenepropanoic acid;3-(4-methanesulfonylphenyl)propanoic acid;Peakdale1_000754;3-[4-(METHYLSULPHONYL)PHENYL]PROPANOIC ACID;SCHEMBL1429021;HMS520C06;DTXSID90371731;ZZZBVBATZOAPQB-UHFFFAOYSA-N;4-Methylsulfonylbenzenepropanoic acid;MFCD01319236;AKOS009159363;AB08903;PS-4870;CS-0068040;FT-0656464;E80947;EN300-265772;SR-01000384295;3-[4-(METHYLSULFONYL)PHENYL]PROPIONIC ACID;SR-01000384295-1;3-[4-(Methylsulfonyl)phenyl]propanoic acid, AldrichCPR;F9995-0953;Z381375970

Chemical Property of 3-(4-(Methylsulfonyl)phenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 9.03E-09mmHg at 25°C
• Melting Point: 170-172°C
• Refractive Index: 1.549
• Boiling Point: 446.9 °C at 760 mmHg
• Flash Point: 224.1 °C
• PSA: 79.82000
• Density: 1.303 g/cm³
• LogP: 2.18810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.04563003
• Heavy Atom Count: 15
• Complexity: 307

Purity/Quality:

97% ^*data from raw suppliers

3-[4-(Methylsulfonyl)phenyl]propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)C1=CC=C(C=C1)CCC(=O)O

Technology Process of 3-(4-(Methylsulfonyl)phenyl)propanoic acid

There total 1 articles about 3-(4-(Methylsulfonyl)phenyl)propanoic 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:

→ 3-[4-(methylsulfonyl)phenyl]propanoic acid (387350-46-1)

Guidance literature:

With water; nickel; Hydrogenation;

DOI:10.1039/jr9490000178

Reference yield: 29.0%

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N1-[2-(morpholin-4-yl)ethyl]benzene-1,2-diamine (1613694-70-4) + 3-[4-(methylsulfonyl)phenyl]propanoic acid (387350-46-1) → 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-{2-[4-(methylsulfonyl)phenyl]ethyl}-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole (1613696-26-6)

Guidance literature:

With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine; In ethyl acetate; for 16h; Reflux; Inert atmosphere;

DOI:10.1021/ja412434f

Reference yield:

3-[4-(methylsulfonyl)phenyl]propanoic acid (387350-46-1) → 3-[4-(methylsulfonyl)phenyl]propan-1-ol (651310-29-1)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 ℃; for 2h;

Downstream raw materials:

2-(4-methylsulfonylphenyl)ethan-1-amine

3-(4-methanesulfonyl-phenyl)-propionic acid amide

3-(4-(methylsulfonyl)phenyl)propanenitrile

3-[4-(methylsulfonyl)phenyl]propan-1-ol