Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt

Base Information

• Chemical Name: Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt
• CAS No.: 145-42-6
• Molecular Formula: C26H44NaO7S
• Molecular Weight: 537.694
• Hs Code.: 29049090
• European Community (EC) Number: 205-653-7
• Mol file: 145-42-6.mol

Synonyms:Cholyltaurine;Sodium Taurocholate;Taurine Cholate;Taurocholate;Taurocholate Sodium;Taurocholate, Sodium;Taurocholic Acid;Taurocholic Acid, (5 alpha)-Isomer;Taurocholic Acid, (7 beta)-Isomer;Taurocholic Acid, Monolithium Salt;Taurocholic Acid, Monosodium Salt

Chemical Property of Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt

Chemical Property:

• Appearance/Colour: White powder.
• Melting Point: 230 °C
• Refractive Index: 23 ° (C=3, H2O)
• Flash Point: 9℃
• PSA: 155.37000
• Density: 1.177 g/cm3(Temp: 22.5 °C)
• LogP: 3.49720
• Storage Temp.: 0-6°C
• Solubility.: H2O: 0.5 M at 20 °C, clear, colorless to f
• Water Solubility.: > 250 g/L (20 ºC)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 537.27361820
• Heavy Atom Count: 36
• Complexity: 897

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sodium taurocholate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
• Uses: selectively activates retinoid X receptors (RXRs) Sodium taurocholate is a detergent useful for the solubilization of lipids and membrane-bound proteins.

Technology Process of Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt

There total 3 articles about Ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt 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: 95.0%

Tau (107-35-7) + cholic acid (81-25-4) → sodium taurocholate (145-42-6)

Guidance literature:

Tau; cholic acid; With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; triethylamine; In N,N-dimethyl-formamide; at 90 ℃; for 2h;

With sodium hydroxide; In methanol; at 20 ℃; for 1h;

Reference yield: 94.0%

cholic acid (81-25-4) + sodium taurinate (7347-25-3) → sodium taurocholate (145-42-6)

Guidance literature:

With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; In N,N-dimethyl-formamide; at 60 - 100 ℃; for 6.5h; Solvent; Temperature;

Reference yield: 90.0%

taurocholic acid ammonium salt → sodium taurocholate (145-42-6)

Guidance literature:

With sodium hydroxide; In methanol; for 2h;

upstream raw materials:

Tau

cholic acid

sodium taurinate

Downstream raw materials:

tert-butyl alcohol

Tau

cholic acid

N-nitrosotaurochoic acid

Refernces

• 1、 -. "Refining method of sodium taurocholate". Paragraph 0047-0068. . Retrieved 2019/06/12.