CID 559513

Base Information

• Chemical Name: CID 559513
• CAS No.: 733-44-8
• Molecular Formula: C15H27NO3S
• Molecular Weight: 301.45
• Hs Code.: 29239000
• Mol file: 733-44-8.mol

Synonyms:

Chemical Property of CID 559513

Chemical Property:

• Appearance/Colour: white to almost white crystals or crystalline
• Melting Point: 110-114 °C(lit.)
• Refractive Index: 1.6000 (estimate)
• PSA: 65.58000
• Density: 0.480
• LogP: 3.86270
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: acetonitrile: 0.1 g/mL, clear, colorless
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 301.17116490
• Heavy Atom Count: 20
• Complexity: 319

Purity/Quality:

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

Tetraethylammonium p-Toluenesulfonate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+](CC)(CC)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Technology Process of CID 559513

There total 3 articles about CID 559513 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: 100.0%

tetraethylammonium bromide (71-91-0) + methyl p-toluene sulfonate (80-48-8) → tetraethylammonium tosylate (733-44-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.583333h;

DOI:10.1002/open.201900217

Reference yield:

triethylamine (121-44-8) → tetraethylammonium tosylate (733-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / 72 h / 60 °C

2: acetonitrile / 0.58 h / 20 °C

In acetonitrile;

DOI:10.1002/open.201900217

Reference yield:

→ tetraethylammonium tosylate (733-44-8)

Guidance literature:

upstream raw materials:

tetraethylammonium bromide

methyl p-toluene sulfonate

triethylamine

Downstream raw materials:

barium p-toluenesulfonate

W(CO)Cl(P(CH₃)3)2(CH₃C₂NHC(CH₃)3)(CH₃C₆H₄SO₃)

acetoxy-beta-ionone

Refernces

• 1、 -. "Process for producing 2-(2'-methyl-1'-propenyl)-4-methyltetrahydropyran". . . Retrieved 2008/06/13.