2-(Cyclohexylazaniumyl)ethanesulfonate

Base Information

• Chemical Name: 2-(Cyclohexylazaniumyl)ethanesulfonate
• CAS No.: 103-47-9
• Molecular Formula: C8H17NO3S
• Molecular Weight: 207.294
• Hs Code.: 29213099
• Metabolomics Workbench ID: 147836
• Mol file: 103-47-9.mol

Synonyms:2-(cyclohexylazaniumyl)ethanesulfonate;2vw2;AKOS025116984

Chemical Property of 2-(Cyclohexylazaniumyl)ethanesulfonate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: >300 °C
• Refractive Index: 1.518
• PKA: 9.3(at 25℃)
• PSA: 74.78000
• Density: 1.23 g/cm³
• LogP: 2.26820
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.5 M at 20 °C, clear, colorless
• Water Solubility.: Soluble
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.09291458
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99%, ^*data from raw suppliers

2-(N-Cyclohexylamino)ethanesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36-20/22
• Safety Statements: 26-28-24/25-16-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]
• Uses: Biological buffer. CHES is zwitterionic buffer useful in pH range 8.6 to 10.0.CHES is widely utilized as a buffer which is used for investigations on pH-dependent processes in enzymology. It has been shown to have an unusually high affinity for the iodoacetate binding site of liver alcohol dehydrogenase. 2-(Cyclohexylamino)ethanesulfonic acid (CHES) has been used in the preparation of dimethyl trisulfide- polysorbate 80 (DMTS-PS80) formulation.

Technology Process of 2-(Cyclohexylazaniumyl)ethanesulfonate

There total 4 articles about 2-(Cyclohexylazaniumyl)ethanesulfonate 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: 86.0%

cyclohexylamine (108-91-8,157973-60-9) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-(cyclohexylamino)ethanesulfonic acid (103-47-9)

Guidance literature:

cyclohexylamine; With copper; sodium sulfite; In ethanol; water; Reflux;

1,2-dichloro-ethane; In ethanol; water; at 65 ℃; for 3h;

Reference yield:

cyclohexylamine (108-91-8,157973-60-9) + Na-salt of 2-chloroethane-1-sulfonic acid (15484-44-3) → 2-(cyclohexylamino)ethanesulfonic acid (103-47-9)

Guidance literature:

In water; at 50 ℃; for 6h; Reflux;

Reference yield:

ethene-sulfonate d'isopropyle (3851-91-0) + cyclohexylamine (108-91-8,157973-60-9) → 2-(cyclohexylamino)ethanesulfonic acid (103-47-9)

Guidance literature:

Yield given. Multistep reaction; 1) MeOH, 0 deg C; 2) 10 deg C; 70 deg C, 18 h;

upstream raw materials:

ethene-sulfonate d'isopropyle

cyclohexylamine

Na-salt of 2-chloroethane-1-sulfonic acid

1,2-dichloro-ethane

Downstream raw materials:

2-Cyclohexylamino-ethanesulfonatetetrabutyl-ammonium;

C₈H₂₀N⁽¹⁺⁾*C₈H₁₆NO₃S^(1-)

C₄H₁₂N⁽¹⁺⁾*C₈H₁₆NO₃S^(1-)

C₆H₁₁N₂⁽¹⁺⁾*C₈H₁₆NO₃S^(1-)

Refernces

• 1、 -. "Method for synthesizing 2 - ring has sulfonic acid process". Paragraph 0035-0097. . Retrieved 2019/03/29.
• 2、 -. "Zwitterionic compounds and their n-halo derivatives for use in the treatment of clinical conditions". . . Retrieved 2008/06/13.