[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride

Base Information

• Chemical Name: [(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride
• CAS No.: 345-78-8
• Molecular Formula: C10H16ClNO
• Molecular Weight: 201.696
• Hs Code.: 29394200
• Mol file: 345-78-8.mol

Synonyms:[(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride

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Chemical Property of [(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.00865mmHg at 25°C
• Melting Point: 185-188 °C(lit.)
• Boiling Point: 255 °C at 760 mmHg
• PKA: 9.22(at 25℃)
• Flash Point: 85.6 °C
• PSA: 32.26000
• LogP: 2.52080
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: Freely soluble in water and in ethanol (96 per cent), sparingly soluble in methylene chloride.
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 201.0920418
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,F
• Statements: 22-36/37/38-36/38-39/23/24/25-23/24/25-11
• Safety Statements: 26-36-24/25-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)[NH2+]C.[Cl-]
• Isomeric SMILES: C[C@@H]([C@H](C1=CC=CC=C1)O)[NH2+]C.[Cl-]
• Uses: Non-selective adrenergic agonist; decongestant (nasal). Controlled precursor.
• Clinical Use: Nasal decongestant
• Drug interactions: Potentially hazardous interactions with other drugs Adrenergic neurone blockers: antagonise hypotensive effect of adrenergic neurone blockers. Anaesthetics: increased risk of ventricular arrhythmias with isoflurane. Antibacterials: risk of hypertensive crisis with linezolid. Antidepressants: risk of hypertensive crisis with MAOIs and moclobemide. Dopaminergics: avoid concomitant use with selegiline and rasagiline.

Technology Process of [(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride

There total 5 articles about [(1S,2S)-1-Hydroxy-1-phenylpropan-2-yl]-methylazanium;chloride 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: 92.0%

((1S,2S)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-carbamic acid benzyl ester (159016-47-4) → Novafed (345-78-8)

Guidance literature:

With hydrogenchloride; for 2h; Heating;

DOI:10.1016/S0040-4039(99)02106-1

Reference yield:

(+)-Chloroephedine hydrochloride (94133-42-3) → Novafed (345-78-8) + ephedrine hydrochloride (50-98-6) + (-)cis-(2S:3R)-N-Methyl-2-methyl-3-phenylaziridin (124919-00-2)

Guidance literature:

With ammonia; water; for 8h; Reflux;

DOI:10.1016/j.tetasy.2010.05.007

Reference yield:

(4S,5S)-4-Methyl-5-phenyl-oxazolidine-3-carboxylic acid benzyl ester (263908-29-8) → Novafed (345-78-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 93 percent / NaCNBH₃; TMSCl / acetonitrile / 0.5 h / 20 °C

2: 92 percent / conc. HCl / 2 h / Heating

With hydrogenchloride; chloro-trimethyl-silane; sodium cyanoborohydride; In acetonitrile; 1: Reduction / 2: Hydrolysis;

DOI:10.1016/S0040-4039(99)02106-1

upstream raw materials:

((1S,2S)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-carbamic acid benzyl ester

(4S,5S)-4-Methyl-5-phenyl-oxazolidine-3-carboxylic acid benzyl ester

(+)-Chloroephedine hydrochloride

Downstream raw materials:

(+)-Chloroephedrine

(-)-Chloroephedrine

((1RS,2RS)-2-chloro-1-methyl-2-phenyl-ethyl)-methyl-amine

(+)-Chloroephedine hydrochloride

Refernces

• 1、 -. "Popping oral pharmaceutical compositions". . . Retrieved 2008/06/13.
• 2、 Prelog, Vladimir,Mutak, Stjepan. "Ueber die Stereoselektivitaet der 9,9'-Spirobifluoren-kronenaether gegenueber α-Aminoalkoholen". . p. 2274 - 2278. Retrieved 2007/10/02.