Phenylpropanolamine hydrochloride

Base Information

• Chemical Name: Phenylpropanolamine hydrochloride
• CAS No.: 3198-15-0
• Deprecated CAS: 4345-16-8,7587-43-1,35231-34-6
• Molecular Formula: C9H13NO^.HCl
• Molecular Weight: 187.669
• European Community (EC) Number: 221-702-5,205-826-7
• NSC Number: 757281,24522,23798
• UN Number: 2811
• UNII: B4HG4K9HF5,8D5I63UE1Q
• DSSTox Substance ID: DTXSID80891190
• Wikidata: Q27270210
• NCI Thesaurus Code: C66379
• Mol file: 3198-15-0.mol

Synonyms:Dexatrim;Hydrochloride, Phenylpropanolamine;Norephedrine;Phenylpropanolamine;Phenylpropanolamine Hydrochloride;Prolamine;Propagest;Triaminic DM

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Phenylpropanolamine hydrochloride

Chemical Property:

• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 194-197 °C
• Refractive Index: 1.557
• Boiling Point: 288.1 °C at 760 mmHg
• Flash Point: 128.1 °C
• PSA: 46.25000
• Density: 1.071g/cm³
• LogP: 2.56950
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 187.0763918
• Heavy Atom Count: 12
• Complexity: 110
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: Xn:Harmful
• Statements: R22:Harmful if swallowed.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S28A:After contact wit

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)N.Cl
• Isomeric SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)N.Cl

Technology Process of Phenylpropanolamine hydrochloride

There total 33 articles about Phenylpropanolamine 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: 99.0%

(1R,2S)-(-)-2-Amino-1-phenyl-1-<(tert-butyldimethylsilyl)oxy>-propane (124368-83-8) → (1R,2S)-(-)-norephedrine hydrochloride (3198-15-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; LiAlH₄; In tetrahydrofuran; ethanol; water;

Reference yield: 96.0%

(R)-1-Methyl-2-phenyl-2-((1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxa-tricyclo[5.2.1.02,6]dec-4-yloxy)-ethylamine (133735-62-3,133812-93-8,135028-69-2,135028-70-5,135028-71-6) → (1R,2S)-(-)-norephedrine hydrochloride (3198-15-0)

Guidance literature:

With hydrogenchloride; In methanol; for 2h; Ambient temperature;

DOI:10.1007/BF00810829

Reference yield: 73.4%

→ (1R,2S)-norephedrine (492-41-1,58550-13-3,757124-50-8) + (1R,2S)-(-)-norephedrine hydrochloride (3198-15-0)

Guidance literature:

upstream raw materials:

(1S)-1-phenylprop-2-en-1-ol

methyllithium

erythro-1-phenyl-1-hydroxy-2-propylammonium chloride

(R)-1-Methyl-2-phenyl-2-((1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxa-tricyclo[5.2.1.0^2,6]dec-4-yloxy)-ethylamine

Refernces

• 1、 Claremon,Lumma,Phillips. "Organolithium addition to aldehyde dimethylhydrazones: A highly diastereocontrolled synthesis of threo 2-amino alcohols and (1R,2R)-(-)-norpseudoephedrine". . p. 8265 - 8266. Retrieved 1986.
• 2、 Lalwani, Komal G.,Sudalai, Arumugam. "A short enantioselective synthesis of ephedrine, amphetamine and their analogues via two stereocentered Co(III)-catalyzed hydrolytic kinetic resolution of racemic syn-benzyloxy epoxide". supporting information. p. 6488 - 6490. Retrieved 2015/11/16.
• 3、 Li, Qing-Lan,Tang, Shi,Zhou, Dong,Tang, Xin-Mei. "Simple preparation process of syn phenylpropanolamines from racemic O-TBDPS cyanohydrins". . p. 1600 - 1607. Retrieved 2014/06/09.