Propadrine

Base Information

• Chemical Name: Propadrine
• CAS No.: 48115-38-4
• Molecular Formula: C9H13 N O
• Molecular Weight: 151.208
• European Community (EC) Number: 238-900-2,628-077-1
• NSC Number: 120735
• DSSTox Substance ID: DTXSID70859305
• Nikkaji Number: J136.573H
• Wikipedia: Phenylpropanolamine
• Wikidata: Q97786582,Q59627745
• NCI Thesaurus Code: C29364
• Pharos Ligand ID: HKTM6W2NXZZH
• ChEMBL ID: CHEMBL61006
• Mol file: 48115-38-4.mol

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

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Chemical Property of Propadrine

Chemical Property:

• Melting Point: 103 °C
• Boiling Point: 288.1°Cat760mmHg
• PKA: 12.07±0.45(Predicted)
• Flash Point: 128.1°C
• PSA: 46.25000
• Density: 1.071g/cm³
• LogP: 1.76750
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.099714038
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=CC=CC=C1)O)N

Technology Process of Propadrine

There total 21 articles about Propadrine 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: 100.0%

2-(Benzhydrylidene-amino)-1-phenyl-propan-1-ol (131472-76-9) → 2-amino-1-phenylpropan-1-ol (492-39-7,492-41-1,700-65-2,14838-15-4,36393-56-3,37577-07-4,37577-28-9,48115-38-4,54680-46-5,58550-13-3,757124-50-8)

Guidance literature:

With hydrogenchloride;

DOI:10.1016/S0040-4039(00)97784-0

Reference yield: 97.0%

2-nitro-1-phenylpropan-1-ol (26251-08-1,26251-09-2,38316-08-4,38316-09-5,6343-57-3) → norepinephrine (48115-38-4,58550-13-3,757124-50-8)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In isopropyl alcohol; at 20 ℃;

DOI:10.1016/j.tet.2019.130469

Reference yield: 40.0%

1-phenyl-1,2-propanedione 2-oxime (119-51-7) → norepinephrine (48115-38-4,58550-13-3,757124-50-8)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; at 20 ℃; for 16h; under 2280.15 Torr;

upstream raw materials:

1-phenyl-1,2-propanedione 2-oxime

(+/-)-cathinone

2-nitro-1-phenylpropan-1-ol

bis((4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-3-yl)methane

Downstream raw materials:

N-(2-hydroxy-1-methyl-2-phenylethyl)benzamide

2-benzoylamino-1-benzoyloxy-1-phenyl-propane

Thiophene-2-(2-imino-1-phenylpropan-1-ol)

(erythro)-1-methyl-2-hydroxyphenethyl-naphthalene-2,3-dicarboxylic imide

Refernces

• 1、 Legnani, Luca,Cerai, Gabriele Prina,Morandi, Bill. "Direct and practical synthesis of primary anilines through iron-catalyzed C-H bond amination". . p. 8162 - 8165. Retrieved 2018/05/22.
• 2、 Didier, Dorian,Magnier-Bouvier, Caroline,Schulz, Emmanuelle. "Charge-transfer interactions: An efficient tool for recycling bis(oxazoline)-copper complexes in asymmetric henry reactions". supporting information; experimental part. p. 1087 - 1095. Retrieved 2011/07/09.