4-Methylpentan-2-amine hydrochloride

Base Information

• Chemical Name: 4-Methylpentan-2-amine hydrochloride
• CAS No.: 71776-70-0
• Molecular Formula: C₆H₁₅N*ClH
• Molecular Weight: 137.653
• European Community (EC) Number: 828-959-8
• DSSTox Substance ID: DTXSID20596137
• Mol file: 71776-70-0.mol

Synonyms:71776-70-0;4-methylpentan-2-amine hydrochloride;4-METHYL-2-PENTANAMINE HYDROCHLORIDE;1,3-DIMETHYLBUTYLAMINE HYDROCHLORIDE;1,3-DIMETHYLBUTYLAMINE HCL;4-methylpentan-2-amine;hydrochloride;1, 3-Dimethylbutylamine Hydrochloride (DMBA);2-Pentanamine, 4-methyl-, hydrochloride;4-methylpentan-2-amine,hydrochloride;4-methyl-2-pentanamine HCl;SCHEMBL5755909;DTXSID20596137;4-Methylpentan-2-aminehydrochloride;AMY36830;MFCD11101418;AKOS027254896;DS-10427;PD057604;CS-0171946;EN300-115947;4-Methylpentan-2-amine--hydrogen chloride (1/1);Z2301500042

Chemical Property of 4-Methylpentan-2-amine hydrochloride

Chemical Property:

• Vapor Pressure: 2.03mmHg at 25°C
• Melting Point: 139.5 °C
• Boiling Point: 161 °C at 760 mmHg
• Flash Point: 51.2 °C
• PSA: 26.02000
• LogP: 2.88200
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.0971272
• Heavy Atom Count: 8
• Complexity: 41.4

Purity/Quality:

98% ^*data from raw suppliers

1,3-DimethylbutylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C)N.Cl
• Uses: 1,3-Dimethylbutylamine Hydrochloride is the hydrochloride salt of 1,3-Dimethylbutylamine (D471475); a reagent used to study the application of unfunctionized polymethacrylate resin as a stationary phase in liquid chromatography with UV detection.

Technology Process of 4-Methylpentan-2-amine hydrochloride

There total 5 articles about 4-Methylpentan-2-amine hydrochloride 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:

2-Methylpentane (107-83-5) → rac-2-methylpentan-3-amine hydrochloride + 1,3-dimethyl-butylamine hydrochloride (71776-70-0) + 1,1-dimethyl-butylamine hydrochloride (112306-54-4)

Guidance literature:

2-Methylpentane; With Benzophenone imine; iodobenzene dimethoxide; at 75 ℃; for 24h; Inert atmosphere;

With hydrogenchloride; In methanol; water; at 20 ℃; for 24h; Overall yield = 70percent; Overall yield = 0.019 g; Inert atmosphere;

DOI:10.1002/chem.202102627

Reference yield:

4-methyl-2-pentanone (108-10-1) → 1,3-dimethyl-butylamine hydrochloride (71776-70-0)

Guidance literature:

Multi-step reaction with 2 steps

1: isopropylamine; amine transaminase from Silicibacter pomeroyi; pyridoxal 5'-phosphate / aq. phosphate buffer; acetone / pH 7.5 / Enzymatic reaction

2: sodium hydroxide / water; tert-butyl methyl ether

With pyridoxal 5'-phosphate; amine transaminase from Silicibacter pomeroyi; isopropylamine; sodium hydroxide; In aq. phosphate buffer; tert-butyl methyl ether; water; acetone;

DOI:10.1002/ejoc.201800323

Reference yield:

C6H15N*C15H14O2 → 1,3-dimethyl-butylamine hydrochloride (71776-70-0)

Guidance literature:

C₆H₁₅N*C₁₅H₁₄O₂; With sodium hydroxide; In tert-butyl methyl ether; water;

With hydrogenchloride; In water;

DOI:10.1002/ejoc.201800323

upstream raw materials:

4-methyl-2-pentanone

2-amino-4-methylpentane

2-Methylpentane

Refernces

• 1、 Hülsewede, Dennis,T?nzler, Marco,Süss, Philipp,Mildner, Andrea,Menyes, Ulf,von Langermann, Jan. "Development of an in situ-Product Crystallization (ISPC)-Concept to Shift the Reaction Equilibria of Selected Amine Transaminase-Catalyzed Reactions". . p. 2130 - 2133. Retrieved 2018/05/31.