CID 520578

Base Information

• Chemical Name: CID 520578
• CAS No.: 32503-27-8
• Molecular Formula: C16H35N^.H2SO4
• Molecular Weight: 339.54
• Hs Code.: DERIVATION
• Mol file: 32503-27-8.mol

Synonyms:

Chemical Property of CID 520578

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 171-174 °C
• Boiling Point: 213.3-593.92℃[at 101 325 Pa]
• PSA: 85.81000
• Density: 1.01
• LogP: 5.08900
• Storage Temp.: Refrigerator
• Sensitive.: Hygroscopic
• Solubility.: H2O: soluble10% (w/v), clear, colorless
• Water Solubility.: Soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 339.24432984
• Heavy Atom Count: 22
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Tetrabutylammonium hydrogensulfate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.OS(=O)(=O)[O-]
• Uses: Displays antibacterial properties due to the presence of the quaternary amine and the counter ion. A compound that displays antibacterial properties Phase transfer catalyst Tetra-n-butylammonium hydrogen sulfate shows antibacterial properties due to the presence of the quaternary amine and the counter ion. It serves as a phase-transfer catalyst, surface-active agent, solvent, intermediate, active ingredient for conditioners, antistatic agent, detergent sanitizers, softener for textiles and paper products, emulsifying agents and pigment dispersers. It is used as an efficient catalyst in the N-alkylation reactions of benzanilides, cyclization of beta-amino acids to beta-lactams, conversion of nitriles to amides, dehydrohalogenation of aryl 2-haloethyl ethers to give vinyl ethers and in the oxidation of alcohols.

Technology Process of CID 520578

There total 9 articles about CID 520578 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: 83.0%

tetrabutylammonium thiocyanate (3674-54-2) → tetra(n-butyl)ammonium hydrogensulfate (32503-27-8)

Guidance literature:

With sulfuric acid; In water; at 75 ℃; for 1h;

DOI:10.1055/s-1985-31251

Reference yield:

tetra(n-butyl)ammonium hydroxide (2052-49-5) → tetra(n-butyl)ammonium hydrogensulfate (32503-27-8)

Guidance literature:

With sulfuric acid; In water;

DOI:10.1021/acs.langmuir.1c00893

Reference yield:

C18H30N4OS2*C16H36N(1+)*HO4S(1-) → tetra(n-butyl)ammonium hydrogensulfate (32503-27-8) + 1-butyl-3-{3-[(3-butyl-thioureido)-methyl]-2-hydroxy-benzyl}-thiourea (321898-65-1)

Guidance literature:

In chloroform-d1; at 20 ℃; Equilibrium constant;

DOI:10.1021/ol006690t

upstream raw materials:

tetrabutylammonium thiocyanate

tetra(n-butyl)ammonium hydroxide

Downstream raw materials:

tetrabutylammonium (Z)-2-(p-chlorophenyl)vinylsulphonate

tetrabutylammonium (E)-2-(p-chlorophenyl)vinylsulphonate

tetra-n-butylammonium (2E)-3-phenylprop-2-enoate

2-benzyl-1'-(tert-butoxycarbonyl)-2,3-dihydro-5-methylspiro[isoquinoline-4(1H),4'-piperidin]-1-one

Refernces

• 1、 Lee, Dong Hoon,Lee, Kwan Hee,Hong, Jong-In. "An azophenol-based chromogenic anion sensor". . p. 5 - 7. Retrieved 2007/10/03.
• 2、 Dehmlow, Eckehard V.,Vehre, Burkhard,Broda, Witold. "A Novel Method for the Preparation of Tetra-n-butyl- to Tetra-n-octylammonium Hydrogen Sulfates". . p. 508 - 509. Retrieved 2007/10/02.