2-Amino-5-methylhexane

Base Information

• Chemical Name: 2-Amino-5-methylhexane
• CAS No.: 28292-43-5
• Deprecated CAS: 52646-89-6
• Molecular Formula: C7H17N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 248-941-8
• NSC Number: 73708
• UNII: RJ36ZF28PW
• DSSTox Substance ID: DTXSID60885416
• Nikkaji Number: J49.980C
• Mol file: 28292-43-5.mol

Synonyms:2-Amino-5-methylhexane;28292-43-5;5-methylhexan-2-amine;1,4-Dimethylpentylamine;2-Hexanamine, 5-methyl-;5-Methyl-2-hexylamine;PENTYLAMINE, 1,4-DIMETHYL-;EINECS 248-941-8;NSC 73708;BRN 1731716;RJ36ZF28PW;NSC-73708;NSC73708;5-methyl-2-hexanamine;5-Amino-2-methylhexane;Pentylamine,4-dimethyl-;2-Amino-5-methyl hexane;UNII-RJ36ZF28PW;SCHEMBL354894;AMY3922;DTXSID60885416;MFCD00014813;AKOS000120486;AKOS016843908;28292-43-5 pound OIAe pound(c);(+/-)-2-AMINO-5-METHYLHEXANE;AS-78569;LS-102273;2-Amino-5-methylhexane, >=99.0% (GC);EN300-20253;J-017035

Chemical Property of 2-Amino-5-methylhexane

Chemical Property:

• Vapor Pressure: 8.02mmHg at 25°C
• Melting Point: -19°C (estimate)
• Refractive Index: n20/D 1.416
• Boiling Point: 134.62 °C at 760 mmHg
• PKA: 10.98±0.35(Predicted)
• Flash Point: 29.301 °C
• PSA: 26.02000
• Density: 0.776 g/cm³
• LogP: 2.47010
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 50.3

Purity/Quality:

99.9% ^*data from raw suppliers

2-Amino-5-methylhexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCC(C)N
• Uses: 2-Amino-5-methylhexane is an aliphatic amine used in the preparation of pyridines and other cyclic nitrogen based compounds for use ranging from antiparasitics to calcium channel inhibitors.

Technology Process of 2-Amino-5-methylhexane

There total 5 articles about 2-Amino-5-methylhexane 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:

5-Methyl-2-hexanone (110-12-3) → 2-amino-5-methylhexane (28292-43-5)

Guidance literature:

Reference yield:

N-(5-methyl-2-hexyl)phthalimide → 2-amino-5-methylhexane (28292-43-5)

Guidance literature:

With hydrazine hydrate; In ethanol; Heating;

Reference yield:

5-methylhexan-2-ol (627-59-8) → 2-amino-5-methylhexane (28292-43-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 65 percent / PPh₃; diethyl azodicarboxylate / tetrahydrofuran / 0 - 20 °C

2: N₂H₄*H₂O / ethanol / Heating

With hydrazine hydrate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; ethanol; 1: Mitsunobi protocol-adapted Gabriel synthesis / 2: hydrazinolysis;

upstream raw materials:

bis-(1,4-dimethyl-pentylidene)-hydrazine

5-Methyl-2-hexanone

5-methylhexan-2-ol

4-Methylpentanoic acid

Downstream raw materials:

(S)-1-(4-methylphenyl)ethylamine

(R)-4'-methyl-1-phenylethylamine

Refernces

• 1、 Kiec-Kononowicz,Wiecek,Sasse,Ligneau,Elz,Ganellin,Schwartz,Stark,Schunack. "Importance of the lipophilic group in carbamates having histamine H3- receptor antagonist activity". . p. 349 - 355. Retrieved 2007/10/03.