CID 13653

Base Information

• Chemical Name: CID 13653
• CAS No.: 154-86-9
• Molecular Formula: C9H14ClNO2
• Molecular Weight: 203.669
• Hs Code.: 2922509090
• Mol file: 154-86-9.mol

Synonyms:

Chemical Property of CID 13653

Chemical Property:

• Vapor Pressure: 3.18E-05mmHg at 25°C
• Melting Point: 144°C
• Boiling Point: 341.1 °C at 760 mmHg
• Flash Point: 163.4 °C
• PSA: 52.49000
• LogP: 1.83790
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility.: DMSO (Sparingly), Ethanol (Slightly, Sonicated), Methanol (Slightly), Water (Spa
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

98%, ^*data from raw suppliers

racPhenylephrineHydrochloride ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH2+]CC(C1=CC(=CC=C1)O)O.[Cl-]
• Uses: Phenylephrine is a selective α1-adrenergic receptor agonist used as a decongestant. Phenylephrine lowers intraocular pressure and is used as an agent to dilate the pupil.

Technology Process of CID 13653

There total 1 articles about CID 13653 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:

(-)-phenylephedrine hydrochloride (61-76-7,154-86-9,939-38-8,20368-45-0,827-62-3) → phenylephrine hydrochloride (154-86-9,827-62-3)

Guidance literature:

With hydrogenchloride; at 30.1 ℃; Rate constant;

DOI:10.1016/S0040-4020(01)80964-9

Reference yield: 62.0%

phenylephrine hydrochloride (154-86-9,827-62-3) → 3-(1-Chloro-2-methylamino-ethyl)-phenol; hydrochloride

Guidance literature:

With thionyl chloride; In benzene;

DOI:10.1007/BF00773617

Reference yield:

phenylephrine hydrochloride (154-86-9,827-62-3) → (S)-phenylephrine (614-03-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide / methanol / 0.5 h / 20 °C

1.2: 1.5 h / 25 - 60 °C / Resolution of racemate

2.1: sodium hydroxide / water

2.2: pH < 2

2.3: pH 9

With sodium hydroxide; In methanol; water;

upstream raw materials:

(-)-phenylephedrine hydrochloride

Downstream raw materials:

phenylephrine hydrochloride

{2-Hydroxy-2-[3-(quinolin-2-ylmethoxy)-phenyl]-ethyl}-carbamic acid ethyl ester

3-<2-(methylamino)ethyl>phenol hydrochloride

(S)-phenylephrine-(R)-naproxen

Refernces