N,2,2-trimethylpropan-1-amine

Base Information

• Chemical Name: N,2,2-trimethylpropan-1-amine
• CAS No.: 26153-91-3
• Molecular Formula: C6H15N
• Molecular Weight: 101.192
• European Community (EC) Number: 831-162-8
• DSSTox Substance ID: DTXSID80512732
• Nikkaji Number: J3.024.599G
• Wikidata: Q82372103
• Mol file: 26153-91-3.mol

Synonyms:26153-91-3;N,2,2-trimethylpropan-1-amine;(2,2-dimethylpropyl)(methyl)amine;MFCD00048257;N,2,2-Trimethyl-1-propanamine;1-Propanamine, N,2,2-trimethyl-;N-methyl-neopentylamine;(2,2-dimethylpropyl)methylamine;methylneopentylamine;N-Methyl neopentyl amine;SCHEMBL178564;DTXSID80512732;UQGXHNDRCRTZAC-UHFFFAOYSA-N;N, 2, 2-trimethylpropan-1-amine;AKOS005296666;CS-W020152;BS-12719;SY239405;BB 0257740;EN300-57315;(2,2-dimethylpropyl)(methyl)amine, AldrichCPR;(2,2-dimethylpropyl)methylamine(SALTDATA: HCl);F8888-7503

Chemical Property of N,2,2-trimethylpropan-1-amine

Chemical Property:

• Melting Point: -87.87°C (estimate)
• Refractive Index: 1.4000
• Boiling Point: 109.64°C (estimate)
• PKA: 10.76±0.30(Predicted)
• PSA: 12.03000
• Density: 0.7400
• LogP: 1.64280
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 101.120449483
• Heavy Atom Count: 7
• Complexity: 42.6

Purity/Quality:

98% ^*data from raw suppliers

(2,2-dimethylpropyl)(methyl)amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CNC

Technology Process of N,2,2-trimethylpropan-1-amine

There total 1 articles about N,2,2-trimethylpropan-1-amine 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: 52.0%

N-methyl-pivalamide (6830-83-7) → N-methyl-neopentylamine (26153-91-3)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1021/jo980374z

Reference yield: 36.2%

N-methyl-neopentylamine (26153-91-3) + 1,3,5-trichloro-2,4,6-trinitrobenzene (2631-68-7) → 1,3-dichloro-5-[N-methyl(2,2-dimethylpropyl)amino]-2,4,6-trinitrobenzene

Guidance literature:

In toluene; Ambient temperature;

DOI:10.1021/jo980374z

Reference yield: 5.9%

3-(6-chloro-5-cyano-3-fluoro-pyridin-2-ylamino)-N-methoxy-4-methyl-benzamide (482344-37-6) + N-methyl-neopentylamine (26153-91-3) → 3-{5-Cyano-6-[(2,2-dimethyl-propyl)-methyl-amino]-3-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide (482344-38-7)

Guidance literature:

With potassium fluoride; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide;

upstream raw materials:

N-methyl-pivalamide

Downstream raw materials:

2-(N-methyl-N-neopentylamino)-4-phenylthiazole

3-{5-Cyano-6-[(2,2-dimethyl-propyl)-methyl-amino]-3-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide