Acetamide, N-(1,1-dimethylpropyl)-

Base Information

• Chemical Name: Acetamide, N-(1,1-dimethylpropyl)-
• CAS No.: 15501-38-9
• Molecular Formula: C7H15NO
• Molecular Weight: 129.202
• DSSTox Substance ID: DTXSID60396916
• Nikkaji Number: J3.581.178H
• Mol file: 15501-38-9.mol

Synonyms:Acetamide, N-(1,1-dimethylpropyl)-;N-(2-methylbutan-2-yl)acetamide;N-tert-Amylacetamide;N-tert-Pentylacetamide;Acetamide, N-tert-pentyl-;tert-Amylamine, N-acetyl-;2-Acetamido-2-methylbutane;15501-38-9;SCHEMBL8155896;DTXSID60396916;JILGKFHZMMAZLQ-UHFFFAOYSA-N;AKOS006241762;J3.581.178H

Chemical Property of Acetamide, N-(1,1-dimethylpropyl)-

Chemical Property:

• Melting Point: 77-78 °C
• Boiling Point: 209.8±8.0 °C(Predicted)
• PSA: 32.59000
• Density: 0.860±0.06 g/cm3(Predicted)
• LogP: 2.15140
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 129.115364102
• Heavy Atom Count: 9
• Complexity: 108

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)NC(=O)C

Technology Process of Acetamide, N-(1,1-dimethylpropyl)-

There total 11 articles about Acetamide, N-(1,1-dimethylpropyl)- 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: 95.0%

tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate) + Neopentyl(trimethyl)stannane (55204-72-3) + acetonitrile (75-05-8,26809-02-9) → 2-methyl-but-2-ene (513-35-9) + {(CH3)3Sn(NH3)2}(1+)*PF6(1-)={(CH3)3Sn(NH3)2}PF6 + (Fe(N2C12H8)2(N2C12H7CH2C(CH3)3))(2+)*2PF6(1-)=(Fe(N2C12H8)2(N2C12H7CH2C(CH3)3))(PF6)2 + N-(1,1-dimethylpropyl)acetamide (15501-38-9) + 2-Methyl-1-butene (563-46-2)

Guidance literature:

With ammonia; In acetonitrile; neopentylSnMe3 in CH3CN added to Fe(phen)3(PF6)3 in CH3CN at 22°C under Ar and soln. stirred for 2 h, drop water added and Fe(II) complex filtered, filtrate dried with MgSO4 and treated anhyd. NH3 and Sn product filtered;

DOI:10.1021/ja00369a030

Reference yield: 66.0%

2-methyl-but-2-ene (513-35-9) + acetonitrile (75-05-8,26809-02-9) → N-tert-butylacetamide (762-84-5) + N-(1,1-dimethylpropyl)acetamide (15501-38-9)

Guidance literature:

With sulfuric acid; In water; acetonitrile; at 85 ℃; In flow;

DOI:10.1002/cssc.201100372

Reference yield: 8.0%

tert-Amyl alcohol (75-85-4) + acetonitrile (75-05-8,26809-02-9) → N-tert-butylacetamide (762-84-5) + N-(1,1-dimethylpropyl)acetamide (15501-38-9)

Guidance literature:

With sulfuric acid; acetic acid; In water; at 85 ℃;

DOI:10.1055/s-0030-1259075

upstream raw materials:

bis(tert-butylacetyl)peroxide

acetic acid

2,2-dimethylpropyl bromide

acetonitrile

Downstream raw materials:

2-methyl-2-butylamine

Refernces

• 1、 Brandt, Johan C.,Elmore, Simon C.,Robinson, Richard I.,Wirth, Thomas. "Safe and efficient ritter reactions in flow". experimental part. p. 3099 - 3103. Retrieved 2011/02/25.
• 2、 Rollick,Kochi. "OXIDATION-REDUCTION MECHANISMS - INNER-SPHERE AND OUTER-SPHERE ELECTRON TRANSFER IN THE REDUCTION OF IRON(III), RUTHENIUM(III), AND OSMIUM(III) COMPLEXES BY ALKYL RADICALS. MECHANISMS -". . p. 1319 - 1330. Retrieved 2007/10/02.