(+)-Phenylephrine hydrochloride

Base Information

• Chemical Name: (+)-Phenylephrine hydrochloride
• CAS No.: 939-38-8
• Molecular Formula: C9H13 N O2 . Cl H
• Molecular Weight: 203.669
• Hs Code.: 2922509090
• UNII: 95T627AGR3
• DSSTox Substance ID: DTXSID70917237
• Wikidata: Q27271819
• Mol file: 939-38-8.mol

Synonyms:939-38-8;(S)-Phenylephrine Hydrochloride;(+)-Phenylephrine hydrochloride;95T627AGR3;3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride;3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride;S(+)-Mezaton hydrochloride;(+)-Phenylephrine HCl;S-Phenylephrine hydrochloride;UNII-95T627AGR3;Phenylephrine hydrochloride, (S)-;S(+)-1-(m-Hydroxyphenyl)-2-methylaminoethanol hydrochloride;(+)-m-Hydroxy-alpha-((methylamino)methyl)benzyl alcohol hydrochloride;SCHEMBL3643743;DTXSID70917237;OCYSGIYOVXAGKQ-SBSPUUFOSA-N;AKOS015889989;Benzenemethanol, 3-hydroxy-alpha-((methylamino)methyl)-, hydrochloride, (S)-;BENZYL ALCOHOL, m-HYDROXY-alpha-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (+)-;AC-26250;Q27271819;(+)-m-Hydroxy-alpha-[(methylamino)methyl]-benzyl Alcohol;(s)-1-(3-hydroxyphenyl)-2-methylaminoethanol hydrochloride;(S)-3-(1-hydroxy-2-(methylamino)ethyl)phenol hydrochloride;3-[1-Hydroxy-2-(methylamino)ethyl]phenol--hydrogen chloride (1/1);BENZENEMETHANOL, 3-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (S)-;BENZENEMETHANOL, 3-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-;BENZENEMETHANOL, 3-HYDROXY-.ALPHA.-((METHYLAMINO)METHYL)-, HYDROCHLORIDE, (.ALPHA.S)-

Chemical Property of (+)-Phenylephrine hydrochloride

Chemical Property:

• Boiling Point: 341.1°Cat760mmHg
• Flash Point: 163.4°C
• PSA: 52.49000
• Density: g/cm³
• LogP: 1.83790
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 203.0713064
• Heavy Atom Count: 13
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

(S)-PhenylephrineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC(C1=CC(=CC=C1)O)O.Cl
• Isomeric SMILES: CNC[C@H](C1=CC(=CC=C1)O)O.Cl
• Uses: (S)-Phenylephrine Hydrochloride, is an isomer of (R)-Phenylephrine Hydrochloride(P320640). It is a selective α1-adrenergic receptor agonist used as a decongestant, as a vasopressor, and as an agent to dilate the pupil (1,2,3).

Technology Process of (+)-Phenylephrine hydrochloride

There total 2 articles about (+)-Phenylephrine hydrochloride 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: 80.0%

3-Hydroxyphenyl-ω-methylaminoacetophenone hydrochloride (94240-17-2) → (+)-Phenylephrine hydrochloride (939-38-8,827-62-3)

Guidance literature:

3-Hydroxyphenyl-ω-methylaminoacetophenone hydrochloride; With potassium hydroxide; hydrogen; [(S)-Xyl-P-Phos RuCl₂ (S)-DAIPEN]; In water; isopropyl alcohol; at 70 ℃; for 2.75h; under 21752.2 - 24752.5 Torr;

With hydrogenchloride; In ethanol; water; isopropyl alcohol; at 20 ℃; Product distribution / selectivity;

Reference yield:

3-Hydroxyphenyl-ω-methylaminoacetophenone hydrochloride (94240-17-2) → phenylephrine hydrochloride (61-76-7,827-62-3) + (+)-Phenylephrine hydrochloride (939-38-8,827-62-3)

Guidance literature:

With hydrogen; [(S)-Xyl-P-Phos RuCl(p-cymene)]Cl; In methanol; at 80 - 85 ℃; for 21h; under 18751.9 - 23252.3 Torr; Product distribution / selectivity;

Reference yield: 94.9%

(+)-Phenylephrine hydrochloride (939-38-8,827-62-3) → (S)-phenylephrine (614-03-9)

Guidance literature:

With ammonia; In water; at 1 - 5 ℃; pH=> 9; Product distribution / selectivity;

upstream raw materials:

3-Hydroxyphenyl-ω-methylaminoacetophenone hydrochloride

Downstream raw materials:

phenylephrine hydrochloride

(S)-5-<3-(2-quinolinylmethoxy)phenyl>-3-methyl-2-oxazolidone

(1S)-1-[3-[(2-quinolinyl)methoxy]phenyl]-2-(N-methyl-N-diethylcarbamoyl)amino ethanol

5-[3-[(2-quinolinyl)methoxy]phenyl]-3-methyl-2-oxazolidone

Refernces