63991-66-2

Basic information

• Product Name: Methylbenzyloctylamine
• Synonyms: Methylbenzyloctylamine;N-Benzyl-N-methyloctylamine
• CAS NO: 63991-66-2
• Molecular Formula: C₁₆H₂₇N
• Molecular Weight: 233.3923
• Mol File: 63991-66-2.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 302.5°Cat760mmHg
• Flash Point: 124.7°C
• Appearance: /
• Density: 0.892g/cm³
• Vapor Pressure: 0.000986mmHg at 25°C
• Refractive Index: 1.497
• CAS DataBase Reference: Methylbenzyloctylamine(CAS DataBase Reference)
• NIST Chemistry Reference: Methylbenzyloctylamine(63991-66-2)
• EPA Substance Registry System: Methylbenzyloctylamine(63991-66-2)

Safety Data

• Hazardous Substances Data: 63991-66-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H27N/c1-3-4-5-6-7-11-14-17(2)15-16-12-9-8-10-13-16/h8-10,12-13H,3-7,11,14-15H2,1-2H3

Upstream product

• 64-18-6 formic acid 
• 1667-16-9 N-benzyl-N-octylamine 
• 111-83-1 1-bromo-octane 
• 103-67-3 benzyl-methyl-amine 
• 111-87-5 octanol 
• 1315320-39-8 N-benzyl-N-methyloctanamide 
• 24850-33-7 allyltributylstanane 
• 538-23-8 tricaprilin 
• 7378-99-6 N,N-dimethyloctanamide 
• 100-58-3 phenylmagnesium bromide 
• 629-05-0 n-octyne 
• 124-13-0 Octanal 
• 112-29-8 1-bromo dodecane 
• 74-83-9 methyl bromide 

Downstream Products

• 100-52-7 benzaldehyde 
• 65-85-0 benzoic acid 
• 1667-16-9 N-benzyl-N-octylamine 

Relevant articles and documents

2:1 versus 1:1 Coupling of Alkylacetylenes with Secondary Amines: Selectivity Switching in 8-Quinolinolato Rhodium Catalysis

Both 2:1 and 1:1 couplings of alkylacetylenes with secondary amines were achieved using 8-quinolinolato rhodium catalysts and CsF. The 2:1/1:1 selectivity was switched by choosing the reaction solvent. In DMA, an unprecedented 2:1 coupling reaction of alkylacetylenes with amines proceeded to give 2-aminodiene products. One-pot 2:1 coupling/reduction provided rapid access to various allylamines, while one-pot coupling/hydrolysis gave enones as products. In toluene, anti-Markovnikov hydroamination occurred under relatively mild conditions to give 1:1 coupling products.

Contra-thermodynamic Hydrogen Atom Abstraction in the Selective C-H Functionalization of Trialkylamine N-CH3 Groups

We report a simple one-pot protocol that affords functionalization of N-CH3 groups in N-methyl-N,N-dialkylamines with high selectivity over N-CH2R or N-CHR2 groups. The radical cation DABCO+?, prepared in situ by oxidation of DABCO with a triarylaminium salt, effects highly selective and contra-thermodynamic C-H abstraction from N-CH3 groups. The intermediates that result react in situ with organometallic nucleophiles in a single pot, affording novel and highly selective homologation of N-CH3 groups. Chemoselectivity, scalability, and recyclability of reagents are demonstrated, and a mechanistic proposal is corroborated by computational and experimental results. The utility of the transformation is demonstrated in the late-stage site-selective functionalization of natural products and pharmaceuticals, allowing rapid derivatization for investigation of structure-activity relationships.

Neutral zwitterionic displacer molecules for hydrophobic displacement chromatography

A process for separating organic compounds from a mixture by reverse-phase displacement chromatography, including providing a hydrophobic stationary phase; applying to the hydrophobic stationary phase a mixture comprising organic compounds to be separated; displacing the organic compounds from the hydrophobic stationary phase by applying thereto an aqueous composition comprising a non-surface active hydrophobic neutral zwitterionic displacer molecule and optionally an organic solvent; and collecting a plurality of fractions eluted from the hydrophobic stationary phase containing the separated organic compounds; in which the non-surface active hydrophobic neutral zwitterionic displacer molecule comprises a hydrophobic zwitterion having the general formula, as defined in the disclosure: [CM-R*—CM′].