Octodrine

Base Information

• Chemical Name: Octodrine
• CAS No.: 543-82-8
• Deprecated CAS: 5984-58-7
• Molecular Formula: C8H19N
• Molecular Weight: 129.246
• Hs Code.: 2921199090
• European Community (EC) Number: 208-851-1
• NSC Number: 759813
• UNII: 3GQ9E911BI
• DSSTox Substance ID: DTXSID8046535
• Nikkaji Number: J6.405J
• Wikipedia: Octodrine
• Wikidata: Q7077016
• NCI Thesaurus Code: C74107
• ChEMBL ID: CHEMBL2105833
• Mol file: 543-82-8.mol

Synonyms:2-amino-6-methylheptane;octodrine

Chemical Property of Octodrine

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 3.09mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: n20/D 1.422(lit.)
• Boiling Point: 154.999 °C at 760 mmHg
• PKA: pKa 10.28 ± 0.1(H2O,t =25±0.2,I<0.001) (Uncertain)
• Flash Point: 48.889 °C
• PSA: 26.02000
• Density: 0.783 g/cm³
• LogP: 2.86020
• Storage Temp.: Flammables area
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 129.151749610
• Heavy Atom Count: 9
• Complexity: 59.6

Purity/Quality:

99.9%, ^*data from raw suppliers

1,5-Dimethylhexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22-36/37/38
• Safety Statements: 26-36/37/39-37/39-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)N
• Uses: 1,5-Dimethylhexylamine is an aliphatic secondary amine which shows leucine aminotransferase inhibition. 1,5-Dimethylhexylamine is used in the preparation of glycosyl β-amino acids with antitubercular activity. 2-Amino-6-methylheptane can be used as: A building block for the synthesis of n-type photoconductor, N,N′-bis(1,5-dimethylhexyl)-3,4:9,10-perylenebis (dicarbox-imide) (PDHEP).A reagent in the synthesis of substituted pyrrolidones by reductive amination of levulinic acid using supported platinum catalyst.A nucleophilic amine in the synthesis of unsymmetrical sulfamide by reacting with sulfamic acid salts and triphenylphosphine ditriflate.

Technology Process of Octodrine

There total 7 articles about Octodrine 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:

(R)-6-methylheptan-2-amine (70419-11-3,70419-10-2) → 1,5-dimethylhexylamine (543-82-8,70419-10-2)

Guidance literature:

With 2,2,2-trifluoroethanethiol; In tetrahydrofuran; 3-methylpentan-3-ol; at 22 - 24 ℃; for 2h; Photolysis;

DOI:10.1021/jo900074w

Reference yield:

→ 1,5-dimethylhexylamine (543-82-8,70419-10-2)

Guidance literature:

With nickel; Hydrogenation;

DOI:10.1021/ja01237a032

Reference yield:

6-methylheptan-2-one (928-68-7) → 1,5-dimethylhexylamine (543-82-8,70419-10-2)

Guidance literature:

With ethanol; ammonia; nickel; Hydrogenation_.unter Druck;

DOI:10.1021/ja01237a032

upstream raw materials:

ammonium formate

6-methylheptan-2-one

(R)-6-methylheptan-2-amine

6-Methyl-hept-5-en-2-on

Downstream raw materials:

4-{[(E)-1,5-Dimethyl-hexylimino]-methyl}-phenol

(1,5-Dimethyl-hexyl)-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amine

(1,5-Dimethyl-hexyl)-[1-(4-isopropyl-phenyl)-meth-(E)-ylidene]-amine

(S)-6-methylheptan-2-amine

Refernces

• 1、 Murugesan, Kathiravan,Beller, Matthias,Jagadeesh, Rajenahally V.. "Reusable Nickel Nanoparticles-Catalyzed Reductive Amination for Selective Synthesis of Primary Amines". supporting information. p. 5064 - 5068. Retrieved 2019/03/19.