Naldecon

Base Information

• Chemical Name: Naldecon
• CAS No.: 40626-29-7
• Deprecated CAS: 4345-16-8
• Molecular Formula: C9H13 N O . Cl H
• Molecular Weight: 187.669
• European Community (EC) Number: 255-008-9,205-826-7
• UN Number: 2811
• UNII: 184M412SJH
• DSSTox Substance ID: DTXSID2025896
• Wikidata: Q27251969
• NCI Thesaurus Code: C66379
• ChEMBL ID: CHEMBL3189135
• Mol file: 40626-29-7.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 Naldecon

Chemical Property:

• Appearance/Colour: WHITE POWDER OR CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.0011mmHg at 25°C
• Melting Point: 174-176 °C(lit.)
• Boiling Point: 288.1 °C at 760 mmHg
• Flash Point: 128.1 °C
• PSA: 46.25000
• Density: g/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:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26

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
• Uses: (1S,2R)-(+)-Norephedrine Hydrochloride is used in preparation of pyrrolopyridines as ERK inhibitors useful in treatment of diseases.

Technology Process of Naldecon

There total 18 articles about Naldecon 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: 90.0%

<2S-(2a(αS*,βR*),3aα,4β,7β,7aα)>-α-methyl-β-<(octahydro-7,8,8-trimethyl-4,7-methanobenzofuran-2-yl)oxy>benzolethanamin (133735-62-3) → Acutrim (40626-29-7)

Guidance literature:

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

DOI:10.1007/BF00810829

Reference yield: 74.0%

threo-1-benzoyloxy-1-phenyl-2-propylammonium chloride (38222-78-5) → threo-1-phenyl-1-hydroxy-2-propylammonium chloride (154-41-6,1485-15-0,2153-98-2,3198-15-0,4345-16-8,40626-29-7,53631-70-2,53643-20-2,54705-32-7)

Guidance literature:

With hydrogenchloride; for 30h; Heating;

Reference yield: 74.0%

trans-2,5-diphenyl-4-methyl-1,3-oxazoline (38222-77-4) → threo-1-phenyl-1-hydroxy-2-propylammonium chloride (154-41-6,1485-15-0,2153-98-2,3198-15-0,4345-16-8,40626-29-7,53631-70-2,53643-20-2,54705-32-7)

Guidance literature:

With hydrogenchloride; for 30h; Heating;

upstream raw materials:

2-nitro-1-phenylpropan-1-ol

(1RS,2RS)-2-dibenzylamino-1-phenyl-propan-1-ol; hydrochloride

benzaldehyde

(RS)-mandelonitrile

Downstream raw materials:

(2S,4R,5S)-2,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-one

(2R,4R,5S)-2,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-one

4-methyl-5-phenyloxazolidin-2-one

(2R,4R,5S)-2-ethoxy-4-methyl-5-phenyl-1,3,2-oxazaphospholidine-2-thione

Refernces

• 1、 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.
• 2、 Sun, Ping,Wang, Chunlei,Breitbach, Zachary S.,Zhang, Ying,Armstrong, Daniel W.. "Development of new HPLC chiral stationary phases based on native and derivatized cyclofructans". experimental part. p. 10215 - 10226. Retrieved 2010/05/01.