2-Ammonioethanesulfonate

Base Information

• Chemical Name: 2-Ammonioethanesulfonate
• CAS No.: 107-35-7
• Molecular Formula: C2H7NO3S
• Molecular Weight: 125.148
• Hs Code.: 29211980
• Mol file: 107-35-7.mol

Synonyms:2-ammonioethanesulfonate;2-azaniumylethanesulfonate;aminoetylsulphonic acid;ethylaminesulphonic acid;2-amino-ethanesulfonic acid;taurine zwitterion;2-azaniumylethane-1-sulfonate;CHEBI:507393;AKOS025117017;InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6

Chemical Property of 2-Ammonioethanesulfonate

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.515
• PKA: 1.5(at 25℃)
• PSA: 88.77000
• Density: 1.494 g/cm³
• LogP: 0.61400
• Storage Temp.: 2-8°C
• Solubility.: H2O: 0.5 M at 20 °C, clear, colorless
• Water Solubility.: 5-10 g/100 mL at 23.5 ºC
• XLogP3: -4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 125.01466426
• Heavy Atom Count: 7
• Complexity: 107

Purity/Quality:

99%, ^*data from raw suppliers

Taurine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CS(=O)(=O)[O-])[NH3+]
• Description: Taurine is a sulfur-containing amino acid with multiple physiological functions, including the maintenance of mitochondrial health.; While known as an antioxidant, its underlying mechanism is unclear as it is not a radical scavenger.
• Chemical Composition and Properties: Non-Essential Amino Acid: Taurine is a non-essential amino acid that does not participate in protein synthesis due to the absence of a carboxyl group.; Abundance: It is abundant in various mammalian tissues, especially in electrically excitable tissues like the heart and brain.; Water-Soluble: Taurine exhibits strong water-soluble and poor lipophilic properties.
• Historical Background: Discovery: Taurine was first isolated from ox bile by Friedrich Tiedemann and Leopold Gmelin in 1827.; Naming: Initially named "Gallen - Asparagin," it was later named "taurus" after the Latin Bos taurus, and finally referred to as "taurine" in 1838 by von H. Demarcay.
• Metabolic and Physiological Functions: Derivation and Abundance: Taurine can be derived from cysteine metabolism and accounts for a significant portion of the free amino acid pool.; Sources: Dietary sources of taurine include animal proteins.; Benefits: Taurine plays roles in glucose and lipid regulation, energy metabolism, anti-inflammatory modulation, and antioxidant actions.; Ergogenic Aid: Taurine has been used as a potential ergogenic aid to enhance athletic performance.
• Absorption and Excretion: Absorption: Taurine absorption occurs mainly in the gastrointestinal tract, with improved bioavailability on an empty stomach.; Excretion: Kidneys regulate plasma taurine concentrations through urine excretion.
• Role in Fat Metabolism: Modulation: Taurine modulates fat metabolism, increasing lipolysis and altering fuel utilization and metabolic efficiency during exercise.; Mitochondrial Function: It inhibits oxidative stress by improving mitochondrial function and promoting mitochondrial biogenesis.

Technology Process of 2-Ammonioethanesulfonate

There total 92 articles about 2-Ammonioethanesulfonate 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: 99.98%

cyanomethane-sulfonic acid (753386-85-5) → Tau (107-35-7)

Guidance literature:

With hydrogen; at 55 ℃; under 22502.3 Torr; Temperature; Pressure; Reagent/catalyst; Inert atmosphere;

Reference yield: 99.18%

sodium 2-hydroxyethanesulfonate (1562-00-1) → Tau (107-35-7)

Guidance literature:

With ammonium hydroxide; at 150 ℃; for 0.0833333h; under 45004.5 Torr; Temperature; Time; Pressure; Microwave irradiation;

Reference yield: 98.4%

Cysteamine (60-23-1) → Tau (107-35-7)

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine; In water; at 140 ℃; for 0.166667h; under 3000.3 Torr; Reagent/catalyst; Temperature; Pressure;

upstream raw materials:

sulfuric acid mono-(2-amino-ethyl ester)

3-sulfopropanoic acid

cysteic acid

L-Cysteic acid

Downstream raw materials:

2-(di(2-hydroxyethyl)amino)ethanesulfonic acid

2-(N,N,N-trimethylamino)ethanesulfonate

NCS 731

taurocyamine

Refernces

• 1、 Chinake,Mundoma,Olojo,Chigwada,Simoyi. "Oxyhalogen sulfur chemistry: Kinetics and mechanism of the oxidation of a Bunte salt 2-aminoethanethiolsulfuric acid by chlorite". . p. 4957 - 4964. Retrieved 2001.
• 2、 Calvo, Paula,Crugeiras, Juan,Rios, Ana,Rios, Miguel A.. "Nucleophilic substitution reactions of N-chloramines: Evidence for a change in mechanism with increasing nucleophile reactivity". . p. 3171 - 3178. Retrieved 2007.
• 3、 Cortese. "-". . . Retrieved 1938.
• 4、 Martincigh, Bice S.,Mundoma, Claudius,Simoyi, Reuben H.. "Antioxidant chemistry: Hypotaurine-taurine oxidation by chlorite". . p. 9838 - 9846. Retrieved 1998.
• 5、 Mundoma, Claudius,Simoyi, Reuben H.. "Oxyhalogen-sulfur chemistry: Oxidation of 2-aminoethanethiolsulfuric acid by iodate in acidic medium". . p. 1543 - 1550. Retrieved 1997.
• 6、 Morakinyo, Moshood K.,Chikwana, Edward,Simoyi, Reuben H.. "Oxyhalogen-sulfur chemistry - Kinetics and mechanism of the bromate oxidation of cysteamine". . p. 416 - 425. Retrieved 2008.
• 7、 Pedrini, Paola,Andreotti, Elisa,Guerrini, Alessandra,Dean, Mariangela,Fantin, Giancarlo,Giovannini, Pier Paolo. "Xanthomonas maltophilia CBS 897.97 as a source of new 7β- and 7α-hydroxysteroid dehydrogenases and cholylglycine hydrolase: Improved biotransformations of bile acids". . p. 189 - 198. Retrieved 2006.
• 8、 -. "PROCESS SULFONATION OF AMINOETHYLENE SULFONIC ESTER TO PRODUCE TAURINE". Paragraph 0030-0031. . Retrieved 2021/06/04.
• 9、 -. "PROCESS SULFONATION OF AMINOETHYLENE SULFONIC ESTER WITH CARBON DIOXIDE ADDITION TO PRODUCE TAURINE". Paragraph 47-49. . Retrieved 2021/10/02.