Pseudoephedrine hydrochloride

The Pseudoephedrine hydrochloride, with the CAS registry number 345-78-8, is also known as D-(alpha-(1-Methylamino)ethyl)benzyl alcohol hydrochloride. It belongs to the product categories of Pharmaceutical Raw Materials; API's; Amines; Aromatics; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 206-462-1. This chemical's molecular formula is C₁₀H₁₆ClNO and molecular weight is 201.69. What's more, its systematic name is (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride (1:1). Its classification codes are: (1)Adrenergic [vasoconstrictor]; (2)Decongestant; (3)Drug / Therapeutic Agent; (4)Human Data; (5)Inhibitor [HMG-CoA reductase]. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides and light. It is used to cure bronchial asthma and chronic bronchitis and so on.

Physical properties of Pseudoephedrine hydrochloride are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.99; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 85.6 °C; (14)Enthalpy of Vaporization: 52.03 kJ/mol; (15)Boiling Point: 255 °C at 760 mmHg; (16)Vapour Pressure: 0.00865 mmHg at 25°C.

Preparation of Pseudoephedrine hydrochloride: this chemical can be prepared by (2-hydroxy-1-methyl-2-phenyl-ethyl)-methyl-carbamic acid benzyl ester by heating. This reaction will need reagent conc. HCl with the reaction time of 2 hours. The yield is about 92%.

Uses of Pseudoephedrine hydrochloride: it can be used to produce (2S,4S,5S)-2-(p-methoxyphenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine at the temperature of 20 °C. It will need reagent NaCN and solvent acetonitrile with the reaction time of 5 hours. The yield is about 42.8%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and should avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O[C@@H](c1ccccc1)[C@@H](NC)C
(2)Std. InChI: InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m0./s1
(3)Std. InChIKey: BALXUFOVQVENIU-KXNXZCPBSA-N

The toxicity data is as follows: