Propylhexedrine

Base Information

• Chemical Name: Propylhexedrine
• CAS No.: 101-40-6
• Deprecated CAS: 3595-11-7
• Molecular Formula: C10H21 N
• Molecular Weight: 155.283
• Hs Code.: 2921300090
• European Community (EC) Number: 222-741-0
• NSC Number: 32410
• UNII: LQU92IU8LL
• DSSTox Substance ID: DTXSID1023526
• Nikkaji Number: J21.261J
• Wikipedia: Propylhexedrine
• Wikidata: Q408704
• NCI Thesaurus Code: C47694
• RXCUI: 8792
• Metabolomics Workbench ID: 43693
• ChEMBL ID: CHEMBL2105275
• Mol file: 101-40-6.mol

Synonyms:Benzedrex;propylhexadrine;propylhexedrine;propylhexedrine hydrochloride;propylhexedrine hydrochloride, (S)-isomer

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

Chemical Property of Propylhexedrine

Chemical Property:

• Refractive Index: 1.4600
• Boiling Point: 205°Cat760mmHg
• PKA: 10.78±0.10(Predicted)
• Flash Point: 59.1°C
• PSA: 12.03000
• Density: 0.833g/cm³
• LogP: 2.95560
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 155.167399674
• Heavy Atom Count: 11
• Complexity: 95

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1CCCCC1)NC
• Uses: Adrenergic (vasoconstrictor).

Technology Process of Propylhexedrine

There total 9 articles about Propylhexedrine 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: 91.3%

(+/-)-2-methylamino-1-cyclohexyl-propane; hydrochloride (1007-33-6,6192-95-6) → propylhexedrine (101-40-6,3595-11-7)

Guidance literature:

With sodium hydroxide; In water; toluene;

Reference yield:

methamphetamin (7632-10-2) → propylhexedrine (101-40-6,3595-11-7)

Guidance literature:

With acetic acid; platinum; Hydrogenation;

DOI:10.1021/ja01197a039

Reference yield:

4-cyclohexyl-butan-2-one (103-78-6) + methylamine hydrochloride (593-51-1) → propylhexedrine (101-40-6,3595-11-7)

Guidance literature:

4-cyclohexyl-butan-2-one; methylamine hydrochloride; With titanium(IV) isopropylate; triethylamine; In ethanol; for 3h;

With sodium tetrahydroborate; In ethanol; for 3h; Further stages.;

DOI:10.1021/jm0004547

upstream raw materials:

N-Methylformamide

formic acid

4-cyclohexyl-butan-2-one

methamphetamin

Downstream raw materials:

N-benzylpropylhexedrine

(+/-)-2-methylamino-1-cyclohexyl-propane; hydrochloride

{2-[(2-cyclohexyl-1-methylethyl)methylamino]-2-oxoethoxy}acetic acid

(2-cyclohexyl-1-methyl-ethyl)-methyl-(7-nitro-benzo[1,2,5]oxadiazol-4-yl)-amine

Refernces

• 1、 Fotsch,Sonnenberg,Chen,Hale,Karbon,Norman. "Synthesis and structure-activity relationships of trisubstituted phenyl urea derivatives as neuropeptide Y5 receptor antagonists". . p. 2344 - 2356. Retrieved 2007/10/03.
• 2、 Rucker,Mrongovius,Neugebauer. "On the stability of (phenylethylamino)pyrazolones". . p. 839 - 846. Retrieved 2007/10/02.