5345-30-2

Basic information

• Product Name: (2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID
• Synonyms: RARECHEM BK HW 0232;(2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID;3-[4-(METHYLSULFONYL)PHENYL]-(2E)-PROPENOIC ACID;3-[4-(METHYLSULPHONYL)PHENYL]-(2E)-PROPENOIC ACID;4-(Methlsulphonyl)cinnamic acid;4-(Methylsulphonyl)cinnamic acid;3-(4-mesylphenyl)acrylic acid;3-(4-methylsulfonylphenyl)prop-2-enoic acid
• CAS NO: 5345-30-2
• Molecular Formula: C₁₀H₁₀O₄S
• Molecular Weight: 226.25
• Mol File: 5345-30-2.mol
• Article Data: 9

Chemical Properties

• Melting Point: 293-295
• Boiling Point: 465 °C at 760 mmHg
• Flash Point: 235 °C
• Appearance: /
• Density: 1.356g/cm³
• Vapor Pressure: 1.9E-09mmHg at 25°C
• Refractive Index: 1.581
• CAS DataBase Reference: (2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID(5345-30-2)
• EPA Substance Registry System: (2E)-3-[4-(METHYLSULFONYL)PHENYL]PROPENOIC ACID(5345-30-2)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 5345-30-2(Hazardous Substances Data)

Usage

General Description

(2E)-3-[4-(Methylsulfonyl)phenyl]propenoic acid, also known as mesalamine, is a medication commonly used to treat inflammatory bowel disease, including ulcerative colitis and Crohn's disease. It works by reducing inflammation in the colon and other parts of the digestive tract. Mesalamine belongs to the class of drugs known as aminosalicylates and is available in various forms including tablets, capsules, enemas, and suppositories. It is believed to work by blocking the production of certain chemicals in the body that cause inflammation, and it may also help to reduce the frequency of bowel movements and control symptoms such as diarrhea, rectal bleeding, and abdominal pain. It is generally well tolerated, with common side effects including headache, nausea, and abdominal pain. However, it may cause more serious side effects in some individuals, so it should only be taken under the supervision of a healthcare professional.

InChI:InChI=1/C10H10O4S/c1-15(13,14)9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)

Upstream product

• 79-01-6 Trichloroethylene 
• 22821-77-8 p-methylsulfonylbenzyl alcohol 
• 53606-06-7 4-(methylsulfonyl)benzyl bromide 
• 141-82-2 malonic acid 
• 5398-77-6 para-methanesulfonylbenzaldehyde 
• 140134-65-2 (E)-3-<4-(methylthio)phenyl>propenoic acid 
• 1879-16-9 1-methoxy-4-methylsulfanyl-benzene 
• 125872-45-9 ethyl (E)-3-<4-(methylthio)phenyl>propenoate 
• 22821-80-3 N-(4-methanesulfonylphenyl)acetamide 
• 5470-49-5 4-methanesulfonylphenylamine 
• 22821-76-7 4-(methylsulfonyl)benzonitrile 
• 710-24-7 4-acetamidobenzenesulfinic acid 
• 3446-89-7 4-(Methylthio)benzaldehyde 
• 7681-38-1 sodium hydrogen sulfate 

Downstream Products

• 125872-64-2 (E)-3-[4-(methylsulfonyl)phenyl]prop-2-en-1-ol 
• 718610-52-7 (E)-(4S,5R)-1-(3-[4-methanesulfonylphenyl]acryloyl)-3,4-dimethyl-5-phenyl-imidazolidin-2-one 
• 718610-51-6 (4R,5S)-1-[(S)-3-(4-methanesulfonyl-phenyl)-3-phenyl-propionyl]-3,4-dimethyl-5-phenyl-imidazolidin-2-one 
• 718611-14-4 (4S,5R)-1-[(R)-3-(4-methanesulphonyl-phenyl)-3-(3,5-di-fluorophenyl)-propionyl]-3,4-dimethyl-5-phenyl-imidazolidin-2-one 
• 73231-34-2 Florfenicol 
• 143026-79-3 (4S,5R)-2-(dichloromethyl)-4-(fluoromethyl)-5-(4-(methylsulfonyl)phenyl)-4,5-dihydrooxazole 
• 126813-11-4 D-threo-2-(dichloromethyl)-5-(4-methanesulfonylphenyl)-4,5-dihydro-1,3-oxazol-4-yl methanol 
• 157142-64-8 (3S,4R)-2-(dichloromethyl)-4,5-dihydro-α-[4-(methylsulfonyl)phenyl]oxazole-4-methanol 

Relevant articles and documents

Syntheses, crystal structures, and antimicrobial activities of nickel(II) and cadmium(II) complexes with 4-methylsulfonyl cinnamate and diamines

Two metal complexes, [NiII(mscinn)2(pda)2] (1) and [CdII(mscinn)2(dmeda)2·2H 2O] (2) (mscinn=4-methylsulfonyl cinnamate, pda=propane-1,3-diamine, dmeda=N′, N′-dimethylethane-1,2-diamine), were synthesized by reacting 4-methylsulfonyl cinnamate with the diamines and metal salts. Their structures were determined by single-crystal X-ray diffraction analysis. Crystal parameters of 1: C26H38N4NiO8S 2, M=657.43, monoclinic, P21/c, a=16.6123(8) A, b=8.5956(4) A, c=11.2047(5) A, β=107.423(1)°, V=1526.54(12) A3, Z=2, Dcalcd=1.430 g cm-3, F(000)=692, μ=0.825mm-1, R1=0.0257, wR 2=0.0669. Crystal data of 2: C28H42CdN 4O8S2 · 2(H2O), M=775.24, monoclinic, P21/c, a=9.8278(4) A, b=11.6611(5) A, c=15.3972(7) A, β=96.195(1)°, V=1754.26(13) A3, Z=2, Dcalcd=1.468 g cm-3, F(000)=804, μ=0.798mm -1, R1=0.0299, wR2=0.0770. Antimicrobial activities for 1 and 2 against Escherichia coli, Pseudomonas putida, Bacillus subtilis, and Bacillus cereus had better antibacterial activity than their parent carboxylic acid against Gram-positive bacteria (B. subtilis and B. cereus). The cadmium complex of the cinnamate displayed high inhibitory activity with an MIC value of 5 μgmL-1 against P. putida, while the nickel complex also exhibited good inhibitory potency with an MIC value of 5 μgmL-1 against B. subtilis.

An efficient enantioselective synthesis of florfenicol based on sharpless asymmetric dihydroxylation

An efficient and highly enantioselective synthesis of florfenicol- via a new intermediate threo-dihydroxy ester, with a Sharpless asymmetric dihydroxylation as the key step, is reported. A ring-opening/reduction strategy avoids the formation of a chlorinated byproduct that occurs in Schumachers phenyloxazoline procedure. The overall yield of florfenicol by this new process is 23% based on 4-(methylsulfonyl)benzaldehyde. Georg Thieme Verlag Stuttgart · New York.

NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS

This invention relates to compounds, which are generally anti-inflammatory and analgesic compounds, and which are represented by Formula I: wherein A is a —CH2—, —C(O)—, —O—, —S—, —S(O)—, or —S(0)2— and the other substituents are as defined in the specification; or prodrugs, individual isomers, mixtures of isomers, and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions containing such compounds and methods for their use as therapeutic agents.