Neopentylamine

Base Information

• Chemical Name: Neopentylamine
• CAS No.: 5813-64-9
• Molecular Formula: C5H13N
• Molecular Weight: 87.1649
• Hs Code.: 29211990
• European Community (EC) Number: 227-378-1
• NSC Number: 165660
• UNII: 988C7435J3
• DSSTox Substance ID: DTXSID4022232
• Nikkaji Number: J150.003A
• Wikipedia: Neopentylamine
• Wikidata: Q24004560
• Mol file: 5813-64-9.mol

Synonyms:2,2-dimethyl-1-propylamine;neopentylamine

Chemical Property of Neopentylamine

Chemical Property:

• Vapor Pressure: 78.1mmHg at 25°C
• Melting Point: -70°C (estimate)
• Refractive Index: 1.403
• Boiling Point: 82.6 °C at 760 mmHg
• PKA: 10.15(at 25℃)
• Flash Point: -13°C
• PSA: 26.02000
• Density: 0.759 g/cm³
• LogP: 1.69150
• Storage Temp.: Store at +2°C to +8°C.
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.104799419
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

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

Neopentylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 11-20/22-35-22
• Safety Statements: 3-16-23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CN

Technology Process of Neopentylamine

There total 23 articles about Neopentylamine 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: 74.0%

Trimethylacetic acid (75-98-9) → 2.2-dimethylpropylamine (5813-64-9) + 2,2-dimethylpropionamide (754-10-9)

Guidance literature:

Trimethylacetic acid; With cyclopentyl methyl ether; ammonia; at 200 ℃; under 4500.45 Torr; Sealed tube; Green chemistry;

With cyclopentyl methyl ether; ammonia; hydrogen; at 200 ℃; for 6.5h; under 42004.2 Torr; Cooling with ice; Green chemistry;

DOI:10.1039/d0gc01441a

Reference yield:

tert-butyl isocyanide (630-18-2) → 2.2-dimethylpropylamine (5813-64-9)

Guidance literature:

With ethanol; sodium;

DOI:10.1039/jr9330000068

Reference yield:

2,2-dimethylpropionaldehyde oxime (637-91-2) → 2.2-dimethylpropylamine (5813-64-9)

Guidance literature:

With nickel; ethylene glycol; at 105 ℃; Hydrogenation;

upstream raw materials:

tert-butyl isocyanide

2,2-dimethylpropionaldehyde oxime

N,N'-bis(2,2-dimethylpropylidene)-2,2-dimethyl-1,1-propanediamine

2,2-dimethylpropionamide

Downstream raw materials:

1-Neopentyl-3-phenyl-thioharnstoff

1-bromo-1-chloroethane

N-(diphenylmethylidene)-2,2-dimethylpropylamine

2-Acetylamino-N-(2,2-dimethyl-propyl)-benzamide

Refernces

• 1、 Babón, Juan C.,Esteruelas, Miguel A.,López, Ana M.,O?ate, Enrique. "Osmium-Promoted Transformation of Alkyl Nitriles to Secondary Aliphatic Amines: Scope and Mechanism". supporting information. p. 2177 - 2188. Retrieved 2020/06/08.
• 2、 Zhang, Yangmin,Yang, Hanmin,Chi, Quan,Zhang, Zehui. "Nitrogen-Doped Carbon-Supported Nickel Nanoparticles: A Robust Catalyst to Bridge the Hydrogenation of Nitriles and the Reductive Amination of Carbonyl Compounds for the Synthesis of Primary Amines". . p. 1246 - 1255. Retrieved 2019/03/07.