CID 561753

Base Information

• Chemical Name: CID 561753
• CAS No.: 56-37-1
• Molecular Formula: C13H22ClN
• Molecular Weight: 227.777
• Hs Code.: 2923.90
• Mol file: 56-37-1.mol

Synonyms:

Chemical Property of CID 561753

Chemical Property:

• Appearance/Colour: white to light yellow crystallize powder
• Melting Point: 239 °C (dec.)(lit.)
• Refractive Index: n20/D 1.479
• Boiling Point: 366.11°C (rough estimate)
• Flash Point: > 100 °C
• PSA: 0.00000
• Density: 1.08 g/mL at 25 °C
• LogP: 0.06710
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: 700 g/L (20 ºC)
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 227.1440774
• Heavy Atom Count: 15
• Complexity: 140

Purity/Quality:

98%, ^*data from raw suppliers

Benzyltriethylammonium chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37/39-26 37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1.[Cl-]
• Uses: Benzyltriethylammonium chloride is used as a catalyst in the preparation of 2-phenylbutyronitrile from phenyl acetonitrile. It is involved in the Knoevenagel condensation of carbonyl compounds with active methylene compounds to give olefinic products. It acts as a phase transfer catalyst used in the alkylation reaction. It reacts with 1H-Pyridine-2-thione to get 2-Benzylsulfanyl-pyridine.

Technology Process of CID 561753

There total 11 articles about CID 561753 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%

benzyl chloride (100-44-7) + triethylamine (121-44-8) → N-benzyl-N,N,N-triethylammonium chloride (56-37-1)

Guidance literature:

at 20 ℃;

DOI:10.15227/orgsyn.060.0066

Reference yield: 99.0%

DBC (3459-92-5) + triethylamine hydrochloride (554-68-7) → N-benzyl-N,N,N-triethylammonium chloride (56-37-1)

Guidance literature:

With 1-ethyl-3-methylimidazolium bromide; at 169.84 ℃; for 8h;

DOI:10.1039/b601343k

Reference yield: 76.3%

benzyl chloride (100-44-7) → N-benzyl-N,N,N-triethylammonium chloride (56-37-1)

Guidance literature:

In polydimethylsiloxane;

upstream raw materials:

benzyl chloride

triethylamine

triethylbenzylammonium 2,4-dinitrophenoxide

4-Nitro-phenolatebenzyl-triethyl-ammonium;

Downstream raw materials:

benzyltriethylammonium hydroxide

benzyl chloride

triethylamine

benzyl N-methyl-2-imidazolyl sulfide

Refernces

• 1、 -. "METHOD FOR SYNTHESIZING AMMONIUM SALT AND COMPOSITION OBTAINED BY INCORPORATING POLYSACCHARIDES INTO AMMONIUM SALT". Paragraph 0030. . Retrieved 2016/12/22.
• 2、 Nashy, El-Shahat H. A.,Megahed,Abd El-Ghaffar. "Preparation of fat-liquor based on jojoba oil under phase transfer catalysis". experimental part. p. 1239 - 1246. Retrieved 2011/11/12.