Iproheptine

Base Information

• Chemical Name: Iproheptine
• CAS No.: 13946-02-6
• Molecular Formula: C11H25 N
• Molecular Weight: 171.326
• Hs Code.: 2921199090
• European Community (EC) Number: 237-726-4
• NSC Number: 760441
• UNII: P021X7VTG0
• DSSTox Substance ID: DTXSID8046248
• Nikkaji Number: J8.463H
• Wikipedia: Iproheptine
• Wikidata: Q5928539
• NCI Thesaurus Code: C83836
• ChEMBL ID: CHEMBL2103925
• Mol file: 13946-02-6.mol

Synonyms:Iproheptine;13946-02-6;Metron S;Iproheptine [INN];Iproheptina;Iproheptinum;6-methyl-N-propan-2-ylheptan-2-amine;N-Isopropyl-1,5-dimethylhexylamine;Iproheptinum [INN-Latin];Iproheptina [INN-Spanish];NSC-760441;UNII-P021X7VTG0;Iproheptine hydrochloride;Iproheptine HCl;P021X7VTG0;DTXSID8046248;EINECS 237-726-4;NCGC00160594-02;(6-methylheptan-2-yl)(propan-2-yl)amine;METRON S [MI];SCHEMBL48719;IPROHEPTINE [WHO-DD];CHEMBL2103925;DTXCID6026248;CHEBI:134804;HMS3264C09;Pharmakon1600-01506195;Tox21_111923;NSC760441;AKOS009066778;CCG-213892;NSC 760441;Hexylamine, N-isopropyl-1,5-dimethyl-;NCGC00160594-01;NCGC00160594-03;CAS-13946-02-6;2-Heptanamine, 6-methyl-N-(1-methylethyl)-;AB01563204_01;AB01563204_02;SR-01000944259;Q5928539;SR-01000944259-2

Chemical Property of Iproheptine

Chemical Property:

• Vapor Pressure: 0.485mmHg at 25°C
• Boiling Point: 192.6°Cat760mmHg
• Flash Point: 50.7°C
• PSA: 12.03000
• Density: 0.778g/cm³
• LogP: 3.59010
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 171.198699802
• Heavy Atom Count: 12
• Complexity: 97.2

Purity/Quality:

98%Min ^*data from raw suppliers

IPROHEPTINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)NC(C)C
• Uses: vasoconstrictor, antihistamine, nasal decongestant

Technology Process of Iproheptine

There total 5 articles about Iproheptine 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: 80.0%

1,5-dimethylhexylamine (543-82-8,70419-10-2) + diisopropylamine (108-18-9) → 6-methyl-N-(1-methylethyl)-2-heptanamine (13946-02-6)

Guidance literature:

With μ-diiodo-di((η5-pentamethylcyclopentadienyl)(iodo)iridium); In 5,5-dimethyl-1,3-cyclohexadiene; at 155 ℃; for 10h; Inert atmosphere;

DOI:10.1002/anie.200904028

Reference yield:

4-Methyl-1-pentene (691-37-2,25068-26-2) → 6-methyl-N-(1-methylethyl)-2-heptanamine (13946-02-6)

Guidance literature:

Multi-step reaction with 3 steps

2: TiCl₄ / diethyl ether / -30 °C

3: H₂ / PtO₂

With hydrogen; titanium tetrachloride; platinum(IV) oxide; In diethyl ether;

DOI:10.1016/S0040-4039(97)01578-5

Reference yield:

6-methylheptan-2-one (928-68-7) → 6-methyl-N-(1-methylethyl)-2-heptanamine (13946-02-6)

Guidance literature:

Multi-step reaction with 2 steps

1: TiCl₄ / diethyl ether / -30 °C

2: H₂ / PtO₂

With hydrogen; titanium tetrachloride; platinum(IV) oxide; In diethyl ether;

DOI:10.1016/S0040-4039(97)01578-5

upstream raw materials:

4-Methyl-1-pentene

6-methylheptan-2-one

1,5-dimethylhexylamine

diisopropylamine