1-Methylpentylamine

Base Information

• Chemical Name: 1-Methylpentylamine
• CAS No.: 5329-79-3
• Deprecated CAS: 68107-05-1
• Molecular Formula: C₆H₁₅N
• Molecular Weight: 101.192
• European Community (EC) Number: 226-220-9
• NSC Number: 2601
• DSSTox Substance ID: DTXSID60884146
• Nikkaji Number: J121.772K
• Wikidata: Q5651237
• Mol file: 5329-79-3.mol

Synonyms:1-Methylpentylamine;2-Aminohexane;5329-79-3;2-Hexanamine;hexan-2-amine;2-Hexylamine;Pentylamine, 1-methyl-;1-Methyl-N-amylamine;NSC 2601;EINECS 226-220-9;AI3-16553;NSC2601;1-methyl-pentylamine;1-methyl-pentyl-amine;2-Aminohexane hydrochloride;SCHEMBL105432;(+/-)-2-AMinohexane--d6;DTXSID60884146;NSC-2601;AKOS005289344;FT-0605140;FT-0605310;FT-0745736;EN300-49678;Q5651237;[cyclohexane-1,1-diylbis(methylamine)-N,N][sulphato(2-)-O,O]platinum

Chemical Property of 1-Methylpentylamine

Chemical Property:

• Vapor Pressure: 6.21E-11mmHg at 25°C
• Melting Point: -19°C
• Refractive Index: 1.635
• Boiling Point: 116 °C at 760 mmHg
• PKA: 11.04±0.35(Predicted)
• Flash Point: 25.7 °C
• PSA: 26.02000
• Density: 0.768 g/cm³
• LogP: 2.22410
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

99% ^*data from raw suppliers

2-Aminohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)N

Technology Process of 1-Methylpentylamine

There total 18 articles about 1-Methylpentylamine 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: 96.1%

n-hexan-2-one (591-78-6) + 4-Phenyl-2-butanone (2550-26-7) → (R)-1-methyl-3-phenylpropylamine (937-52-0,22148-77-2,1199266-89-1) + (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With Candida boidinii formate dehydrogenase; pyridoxal 5'-phosphate; Aspergillus terreus ω-trans aminase; Lysinibacillus fusiformis leucine dehydrogenase-A₁₁₃G mutant; ammonium formate; nicotinamide adenine dinucleotide; In aq. buffer; at 30 ℃; for 24h; pH=8.8; Catalytic behavior; Green chemistry; Enzymatic reaction;

DOI:10.1021/acs.joc.9b02445

Reference yield: 93.0%

n-hexan-2-one (591-78-6) → (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 22; nicotinamide adenine dinucleotide; In aq. buffer; at 50 ℃; for 48h; pH=8.5; Reagent/catalyst; Enzymatic reaction;

DOI:10.1002/chem.202003140

Reference yield: 91.0%

(S)-2-hexanol (52019-78-0) → (R)‐2‐aminohexane (5329-79-3,68107-05-1,70095-40-8,70492-67-0)

Guidance literature:

With aminedehydrogenase; ammonia; ammonium chloride; at 30 ℃; for 48h; pH=8.7; enantioselective reaction; Enzymatic reaction;

DOI:10.1126/science.aac9283

upstream raw materials:

Hexan-2-on-oxim

(R)-(-)-N-(1-methylpentyl)-phthalimide

(S)-2-hexanol

N-benzylhexan-2-amine

Downstream raw materials:

(S)-hexan-2-amine

(R)-1-phenyl-ethyl-amine

acetophenone

n-hexan-2-one

Refernces

• 1、 Heckmann, Christian M.,Paradisi, Francesca. "GPhos Ligand Enables Production of Chiral N-Arylamines in a Telescoped Transaminase-Buchwald-Hartwig Amination Cascade in the Presence of Excess Amine Donor". supporting information. p. 16616 - 16620. Retrieved 2021/10/12.
• 2、 Franklin, Robert D.,Mount, Conner J.,Bommarius, Bettina R.,Bommarius, Andreas S.. "Separate Sets of Mutations Enhance Activity and Substrate Scope of Amine Dehydrogenase". . p. 2436 - 2439. Retrieved 2020/04/16.