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2-Butanone, 1,1,1-trichloro-3,3-dimethyl-

Base Information
  • Chemical Name:2-Butanone, 1,1,1-trichloro-3,3-dimethyl-
  • CAS No.:36965-30-7
  • Molecular Formula:C6H9Cl3O
  • Molecular Weight:203.496
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50450076
2-Butanone, 1,1,1-trichloro-3,3-dimethyl-

Synonyms:36965-30-7;2-Butanone, 1,1,1-trichloro-3,3-dimethyl-;SCHEMBL5320589;DTXSID50450076

Suppliers and Price of 2-Butanone, 1,1,1-trichloro-3,3-dimethyl-
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Chemical Property of 2-Butanone, 1,1,1-trichloro-3,3-dimethyl-
Chemical Property:
  • XLogP3:3.2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:1
  • Exact Mass:201.971898
  • Heavy Atom Count:10
  • Complexity:140
Purity/Quality:
Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:
Useful:
  • Canonical SMILES:CC(C)(C)C(=O)C(Cl)(Cl)Cl
Technology Process of 2-Butanone, 1,1,1-trichloro-3,3-dimethyl-

There total 1 articles about 2-Butanone, 1,1,1-trichloro-3,3-dimethyl- 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:
Guidance literature:
Multi-step reaction with 3 steps
1: 96 percent / (S)-α,α-diphenylprolinol - n-butylboronic acid, catecholborane / toluene / 56 h / -20 °C
2: 80 percent / NaN3, NaOH, H2O / 1,2-dimethoxy-ethane / 24 h / 23 °C
3: H2 / 10percent Pd/C / ethyl acetate / 13 h / 760 Torr
With sodium hydroxide; sodium azide; (S)-diphenylprolinol; butylboronic acid; water; hydrogen; benzo[1,3,2]dioxaborole; palladium on activated charcoal; In 1,2-dimethoxyethane; ethyl acetate; toluene;
DOI:10.1021/ja00031a069
Guidance literature:
Multi-step reaction with 3 steps
1: cathecolborane / (5S)-2-(n-butyl)-4,4-diphenyl-3,2,1-oxazaborabicyclo<3.3.0>octane / toluene / 12 h / -78 °C
2: NaBH3CN, AIBN, Bu3SnCl / ethanol / Heating
3: 1) DBU, 2) quinoline / 1) 18 deg C, 2 h, 2) 60 to 70 deg C
With quinoline; 2,2'-azobis(isobutyronitrile); tributyltin chloride; sodium cyanoborohydride; 1,8-diazabicyclo[5.4.0]undec-7-ene; benzo[1,3,2]dioxaborole; (5S)-2-(n-butyl)-4,4-diphenyl-3,2,1-oxazaborabicyclo<3.3.0>octane; In ethanol; toluene;
DOI:10.1016/S0040-4039(00)73959-1
upstream raw materials:

3,3-dimethyl-butan-2-one

Downstream raw materials:

(R)-tert-butyloxirane

L-tert-Leucine

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