2,2,4-Trimethyl-4-nitrosopentane

Base Information

• Chemical Name: 2,2,4-Trimethyl-4-nitrosopentane
• CAS No.: 31044-98-1
• Molecular Formula: C8H17NO
• Molecular Weight: 143.22700
• DSSTox Substance ID: DTXSID30510006
• Nikkaji Number: J935.906K
• Wikidata: Q82368000
• Mol file: 31044-98-1.mol

Synonyms:2,2,4-trimethyl-4-nitrosopentane;31044-98-1;SCHEMBL5689546;DTXSID30510006;UTBLRYZTSZCMEY-UHFFFAOYSA-N;2,2,4-trimethyl-4-nitroso-pentane;1-nitroso-1,1,3,3-tetramethyl-butan;1 -nitroso-1,1,3,3-tetramethyl-butan

Chemical Property of 2,2,4-Trimethyl-4-nitrosopentane

Chemical Property:

• PSA: 29.43000
• LogP: 2.96760
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 143.131014166
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)CC(C)(C)N=O

Technology Process of 2,2,4-Trimethyl-4-nitrosopentane

There total 1 articles about 2,2,4-Trimethyl-4-nitrosopentane 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:

2,4-bis(1,1,3,3-tetramethylbutyl)-2H-1,5,2,4-dioxadiazine-3,6(4H)-dione (103258-86-2) → 1,1,3,3-tetramethylbutyl isocyanate (1611-57-0) + 2,2,4-tetramethyl-4-nitrosopentane (31044-98-1)

Guidance literature:

at 84 ℃; for 48h;

DOI:10.1021/jo00367a019

Reference yield: 73.0%

2,2,4-tetramethyl-4-nitrosopentane (31044-98-1) + 4-methoxyphenyl magnesium bromide (13139-86-1) → N-(4-methoxyphenyl)-N-(1,1,3,3-tetramethylbutyl)hydroxylamine (83933-59-9)

Guidance literature:

In tetrahydrofuran; 1.) 0 deg C, 30min, 2.) room temperature, 30 min;

Reference yield: 70.0%

2,2,4-tetramethyl-4-nitrosopentane (31044-98-1) + 1-(2-methyl-1-phenylpropyl)hydrazine → 1-{2-methyl-1-[(2-methyl-1-phenylpropoxy)(1,1,3,3-tetramethylbutyl)amino]propyl}benzene

Guidance literature:

With lead dioxide; In hexane; at 20 ℃; for 18h;

DOI:10.1021/ma035128q

upstream raw materials:

2,4-bis(1,1,3,3-tetramethylbutyl)-2H-1,5,2,4-dioxadiazine-3,6(4H)-dione

Downstream raw materials:

N-(4-methoxyphenyl)-N-(1,1,3,3-tetramethylbutyl)hydroxylamine

N-phenyl-N-(1,1,3,3-tetramethylbutyl)hydroxylamine

2,5-bis(1,1,3,3-tetramethylbutylamino)-p-benzoquinone

N-(1,1,3,3-tetramethylbutyl)-p-benzoquinone imine N-oxide

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