CID 657295

Base Information

• Chemical Name: CID 657295
• CAS No.: 550-99-2
• Molecular Formula: C14H14N2^.HCl
• Molecular Weight: 246.739
• Hs Code.: 29339900
• Mol file: 550-99-2.mol

Synonyms:AKOS026749898

Chemical Property of CID 657295

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 1.52E-07mmHg at 25°C
• Melting Point: 254-260 °C
• Boiling Point: 440.5 °C at 760 mmHg
• PKA: pKa (25°C) 10.35 ±0.02, (35°C) 10.13 ±0.02, (45°C) 9.92 ±0.03; pKa (25°C) 10.35 ±0.02, (35°C) 10.13 ±0.02, (45°C) 9.92 ±0.03
• Flash Point: 220.2 °C
• PSA: 24.39000
• Density: 1.15 g/cm³
• LogP: 2.95040
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Freely soluble in water, soluble in ethanol (96 per cent).
• Water Solubility.: 170 g/L (20℃)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 246.0923762
• Heavy Atom Count: 17
• Complexity: 272

Purity/Quality:

99.5% ^*data from raw suppliers

Naphazoline hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xn
• Hazard Codes: T:Toxic;;
• Statements: R20/21/22:; R23/24/25:
• Safety Statements: S24/25:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: [H+].C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.[Cl-]
• Uses: This product is a vasoconstrictor. Rat subcutaneous injection is LD50 385 mg/kg. Naphazoline Hydrochloride is a useful synthetic intermediate used in eye drops. A vasoconstrictor.
• Production method: By the α-naphthalene acetic acid and ethylene diamine condensation, cyclization ,2-(1-naphthylmethyl) imidazoline (C14H14N2, [835-31-4]) is made , then after salifying, naphazoline hydrochloride is derived . The α-acetic acid and ethylene diamine are added to the reaction pot, stir and heat to 120 ℃, react after 1 hour, then heat to 130 ℃, react for 1 hour. Ethylenediamine and water are distilled ,and after vacuum distillation, collect 180-240 ℃ (1.33-4 kPa) distillate, obtain 2-(1-naphthylmethyl) imidazoline. It is dissolved in a mixture of acetone and ethanol, and at 10-12℃ inlet hydrogen chloride gas to become into a salt, naphazoline hydrochloride crystals is generated .
• Therapeutic Function: Vasoconstrictor, Nasal decongestant

Technology Process of CID 657295

There total 1 articles about CID 657295 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: 92.33%

naphazoline (835-31-4) → naphazoline hydrochloride (550-99-2)

Guidance literature:

With hydrogenchloride; In acetonitrile; at 20 ℃; Solvent; Large scale;

upstream raw materials:

naphazoline

Refernces

• 1、 -. "Preparation method of naphazoline hydrochloride". Paragraph 0040; 0043-0044; 0045; 0048-0049; 0050; 0053-0054. . Retrieved 2019/08/03.