N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine

Base Information

• Chemical Name: N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine
• CAS No.: 227000-59-1
• Molecular Formula: C22H31NO
• Molecular Weight: 325.494
• European Community (EC) Number: 622-605-4
• NSC Number: 714201
• DSSTox Substance ID: DTXSID10425144
• Nikkaji Number: J1.266.949F
• ChEMBL ID: CHEMBL1990849
• Mol file: 227000-59-1.mol

Synonyms:227000-59-1;N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine;N-tert-butyl-2-methyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine;2,2,5-Trimethyl-3-(1-phenylethoxy)-4-phenyl-3-azahexane;N-(tert-Butyl)-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine;NCI60_039629;SCHEMBL886989;CHEMBL1990849;DTXSID10425144;NSC714201;AKOS025294944;NSC-714201;J-014817

Chemical Property of N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine

Chemical Property:

• Refractive Index: n20/D1.536
• Boiling Point: 409.3±48.0 °C(Predicted)
• PKA: 2.87±0.70(Predicted)
• Flash Point: >110℃
• PSA: 12.47000
• Density: 0.968 g/mL at 25 °C
• LogP: 6.17700
• Storage Temp.: ?20°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 325.240564612
• Heavy Atom Count: 24
• Complexity: 348

Purity/Quality:

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

N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: O,N
• Statements: 8-50/53
• Safety Statements: 17-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=CC=C2

Technology Process of N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine

There total 7 articles about N-tert-Butyl-N-(2-methyl-1-phenylpropyl)-O-(1-phenylethyl)hydroxylamine 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:

N-(tert-butyl)-N-(2-methyl-1-phenylpropyl)-N-oxyl (61015-94-9) + 1-phenyl-1-phenyltellanylethane (121335-32-8) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + N-tert-butyl-N-(2-methyl-1-phenyl-propyl)-O-(1-phenyl-ethyl)-hydroxylamine (227000-59-1)

Guidance literature:

With PEG₄₀₀; at 25 ℃; for 1h; Irradiation; Inert atmosphere;

DOI:10.1246/BCSJ.20200398

Reference yield:

(1-bromoethyl)benzne (585-71-7,38661-81-3) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + N-tert-butyl-N-(2-methyl-1-phenyl-propyl)-O-(1-phenyl-ethyl)-hydroxylamine (227000-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: tellurium / diethyl ether; tetrahydrofuran; cyclohexane / 0.5 h / 0 - 20 °C / Inert atmosphere

1.2: 2.5 h / 0 - 20 °C

2.1: PEG₄₀₀ / 1 h / 25 °C / Irradiation; Inert atmosphere

With tellurium; In tetrahydrofuran; diethyl ether; cyclohexane;

DOI:10.1246/BCSJ.20200398

Reference yield:

N-(tert-butyl)-N-(2-methyl-1-phenylpropyl)-N-oxyl (61015-94-9) + 1-phenyl-1-phenyltellanylethane (121335-32-8) → N-tert-butyl-N-(2-methyl-1-phenyl-propyl)-O-(1-phenyl-ethyl)-hydroxylamine (227000-59-1)

Guidance literature:

In benzene-d6; at 25 ℃; for 1h; Irradiation; Inert atmosphere;

DOI:10.1246/BCSJ.20200398

upstream raw materials:

(Z)-2-methyl-N-(2-methylpropylidene)propan-2-amine N-oxide

(1-bromoethyl)benzne

benzaldehyde

N-(tert-butyl)-N-(2-methyl-1-phenylpropyl)-N-oxyl

Downstream raw materials:

1-phenylethyl radical

N-(tert-butyl)-N-(2-methyl-1-phenylpropyl)-N-oxyl

Refernces

• 1、 -. "Acrylate contact adhesive materials having tight molecular weight distribution". Page 5. . Retrieved 2010/02/06.