2,2,4,4-Tetramethyl-3-pentanone oxime

Base Information

• Chemical Name: 2,2,4,4-Tetramethyl-3-pentanone oxime
• CAS No.: 7754-22-5
• Molecular Formula: C9H19 N O
• Molecular Weight: 157.256
• European Community (EC) Number: 622-106-1
• DSSTox Substance ID: DTXSID40407791
• Nikkaji Number: J676.039B
• Mol file: 7754-22-5.mol

Synonyms:2,2,4,4-Tetramethyl-3-pentanone oxime;7754-22-5;N-(2,2,4,4-tetramethylpentan-3-ylidene)hydroxylamine;di-t-butyl ketoxime;SCHEMBL1269039;DTXSID40407791;AKOS015912755;2,2,4,4-tetramethylpentan-3-one oxime;2,2,4,4-Tetramethyl-pentan-3-one oxime;FT-0693743;2,2,4,4-Tetramethyl-3-pentanone oxime, 97%

Chemical Property of 2,2,4,4-Tetramethyl-3-pentanone oxime

Chemical Property:

• Vapor Pressure: 0.0385mmHg at 25°C
• Melting Point: 160 °C (subl.)(lit.)
• Boiling Point: 222.1°C at 760 mmHg
• Flash Point: 120.5°C
• PSA: 32.59000
• Density: 0.85g/cm³
• LogP: 2.90880
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 157.146664230
• Heavy Atom Count: 11
• Complexity: 141

Purity/Quality:

98%Min ^*data from raw suppliers

2,2,4,4-Tetramethyl-3-pentanone oxime 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=NO)C(C)(C)C

Technology Process of 2,2,4,4-Tetramethyl-3-pentanone oxime

There total 2 articles about 2,2,4,4-Tetramethyl-3-pentanone oxime 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: 83.0%

di-tert-butyliminoxyl (33802-06-1) + cyclohexene (110-83-8) → 2,2,4,4-tetramethyl-pentan-3-one oxime (7754-22-5) + 2,2,4,4-Tetramethyl-pentan-3-one O-cyclohex-1-enyl-oxime

Guidance literature:

at 25 ℃; for 1h;

DOI:10.1021/jo962136e

Reference yield: 28.0%

di-tert-butyliminoxyl (33802-06-1) + cyclohexene-d21,2 (20696-89-3) → C15H25(2)H2NO + C15H25(2)H2NO + 2,2,4,4-tetramethyl-pentan-3-one oxime (7754-22-5) + cyclohexene (110-83-8)

Guidance literature:

at 20 ℃; for 90h;

DOI:10.1021/jo0504060

Reference yield: 88.0%

2,2,4,4-tetramethyl-pentan-3-one oxime (7754-22-5) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) → 2,6-Di-tert-butyl-4-(1-tert-butyl-2,2-dimethyl-propylideneaminooxy)-4-methyl-cyclohexa-2,5-dienone (105456-89-1)

Guidance literature:

With ammonium cerium(IV) nitrate; In methanol;

DOI:10.1021/jo00376a061

upstream raw materials:

di-tert-butyliminoxyl

cyclohexene

cyclohexene-d₂^1,2

Downstream raw materials:

2,6-Di-tert-butyl-4-(1-tert-butyl-2,2-dimethyl-propylideneaminooxy)-4-methyl-cyclohexa-2,5-dienone