N-Methylhexylamine

Base Information

• Chemical Name: N-Methylhexylamine
• CAS No.: 35161-70-7
• Molecular Formula: C7H17 N
• Molecular Weight: 115.219
• Hs Code.: 2921199090
• European Community (EC) Number: 252-410-6
• UNII: L24KKS9ZHC
• DSSTox Substance ID: DTXSID80188658
• Nikkaji Number: J40.628G
• Wikidata: Q72482347
• Mol file: 35161-70-7.mol

Synonyms:N-Methylhexylamine;35161-70-7;N-methylhexan-1-amine;n-Hexylmethylamine;Hexylmethylamine;1-Hexanamine, N-methyl-;HEXYLAMINE, N-METHYL-;Hexanamine, N-methyl-;hexyl(methyl)amine;hexyl-methyl-amine;N-n-Hexylmethylamine;BRN 1731685;n-Hexyl-N-methylamine;EINECS 252-410-6;L24KKS9ZHC;4-04-00-00710 (Beilstein Handbook Reference);Hexylmethyl amine;Methyl(hexyl)amine;N-methyl-N-hexylamine;N-Methyl-1-hexanamine;UNII-L24KKS9ZHC;n-Hexyl-N-methylamine #;N-Hexylmethylamine, 96%;SCHEMBL23172;N-METHYL-1-AMINOHEXANE;SCHEMBL12500643;DTXSID80188658;STR08673;MFCD00042908;AKOS005296777;SB75372;LS-75725;FT-0676591;E78234;EN300-862096;J-019967

Chemical Property of N-Methylhexylamine

Chemical Property:

• Vapor Pressure: 6.5mmHg at 25°C
• Melting Point: -38°C
• Refractive Index: n20/D 1.416(lit.)
• Boiling Point: 139.2 ºC at 760 mmHg
• PKA: 10.93±0.10(Predicted)
• Flash Point: 22.8 ºC
• PSA: 12.03000
• Density: 0.753 g/cm³
• LogP: 2.17700
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 115.136099547
• Heavy Atom Count: 8
• Complexity: 35.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

n-Methylhexylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 10-22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC
• Uses: N-Hexylmethylamine may be used in the synthesis of dialkyldithiocarbamato cadmium complexes Cd[S2CNRR′]2.

Technology Process of N-Methylhexylamine

There total 23 articles about N-Methylhexylamine 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: 98.0%

hexan-1-amine (111-26-2) + N-methylaniline (100-61-8) → N-methylhexanamine (35161-70-7) + aniline (62-53-3)

Guidance literature:

palladium; at 120 ℃; for 40h;

DOI:10.1021/ja00353a025

Reference yield: 94.0%

N-methylaziridine (1072-44-2) → N-methylhexanamine (35161-70-7)

Guidance literature:

With boron trifluoride diethyl etherate; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)98420-X

Reference yield: 83.0%

→ N-methylhexanamine (35161-70-7) + benzaldehyde (100-52-7)

Guidance literature:

With dipotassium peroxodisulfate; tris(2,2'-bipyridyl)ruthenium dichloride; In water; acetonitrile; at 20 ℃; for 12h; Irradiation;

upstream raw materials:

1-Chlorohexane

methylamine

1-bromo-hexane

N-hexylformamide

Downstream raw materials:

C₁₄H₂₂N₄O

N,N-dimethylhexylamine

N,N-dihexyl-N-methylamine

N-hexyl-N-methylcarbamoyl chloride

Refernces

• 1、 Liu, Xiang,Loh, Teck-Peng,Qiang, Wenwen,Wang, Jing,Ye, Sen,Zhu, Longfei. "Additive-freeN-methylation of amines with methanol over supported iridium catalyst". . p. 3364 - 3375. Retrieved 2021/06/06.
• 2、 Matzel, Philipp,Wenske, Sebastian,Merdivan, Simon,Günther, Sebastian,H?hne, Matthias. "Synthesis of β-Chiral Amines by Dynamic Kinetic Resolution of α-Branched Aldehydes Applying Imine Reductases". . p. 4281 - 4285. Retrieved 2019/08/20.