CID 547329

Base Information

• Chemical Name: CID 547329
• CAS No.: 139-08-2
• Molecular Formula: C23H42ClN
• Molecular Weight: 368.046
• Hs Code.: DERIVATION
• Mol file: 139-08-2.mol

Synonyms:

Chemical Property of CID 547329

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 56-62 °C
• PSA: 0.00000
• Density: 1.02[at 20℃]
• LogP: 3.96810
• Storage Temp.: 2-8°C
• Solubility.: water: soluble1g/10 mL, clear, colorless
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 15
• Exact Mass: 367.3005780
• Heavy Atom Count: 25
• Complexity: 271

Purity/Quality:

99% ^*data from raw suppliers

Zephirol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,N
• Hazard Codes: C,N
• Statements: 21/22-34-50-50/53
• Safety Statements: 36/37/39-45-61-60-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
• Uses: Phase transfer catalyst A quaternary ammonium halide

Technology Process of CID 547329

There total 3 articles about CID 547329 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: 92.3%

N,N-dimethyl-n-tetradecylamine (112-75-4) + benzyl chloride (100-44-7) → benzyldimethyltetradecylammonium chloride (139-08-2)

Guidance literature:

In acetonitrile; at 60 ℃; for 4h; Temperature; Large scale;

Reference yield:

N,N-dimethylaminododecane (112-18-5,83855-86-1) + N,N-dimethyl-n-tetradecylamine (112-75-4) + benzyl chloride (100-44-7) → zephirol (139-07-1,95078-12-9) + benzyldimethyltetradecylammonium chloride (139-08-2)

Guidance literature:

at 40 - 90 ℃; for 25h;

Reference yield:

→ benzyldimethyltetradecylammonium chloride (139-08-2)

Guidance literature:

upstream raw materials:

N,N-dimethyl-n-tetradecylamine

benzyl chloride

N,N-dimethylaminododecane

Downstream raw materials:

bis(benzyldimethyltetradecylazaniumyl)tetrachloroplatinumdiuide

benzyldimethyltetradecylammonium tetraphenylborate

benzyldimethyltetradecylammonium dodecylsulfate

trans-chloro-bis(trimethylphosphine)(phenyl)platinum(II)

Refernces

• 1、 -. "Fatty alkyl dimethyl benzyl quaternary ammonium salt synthesis method". Paragraph 0043-0046; 0071. . Retrieved 2019/04/26.
• 2、 -. "A synthetic method of a benzalkonium chloride mixture". Paragraph 0017; 0018. . Retrieved 2017/08/30.