2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-

Base Information

• Chemical Name: 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-
• CAS No.: 105889-05-2
• Molecular Formula: C₁₁H₁₂N₂O₂
• Molecular Weight: 204.228
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40909785
• Mol file: 105889-05-2.mol

Synonyms:105889-05-2;5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one;BRN 5533357;2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-;3,6-Dihydro-5,6-dimethyl-6-phenyl-2H-1,3,4-oxadiazin-2-one;5,6-dimethyl-6-phenyl-3,6-dihydro-2H-1,3,4-oxadiazin-2-one;2H-1,3,4-Oxadiazin-2-one,3,6-dihydro-5,6-dimethyl-6-phenyl-(9CI);DTXSID40909785;CWZAHGNWKZHUDH-UHFFFAOYSA-N;STK688628;AKOS005602802;LS-98989;5,6-Dimethyl-6-phenyl-6H-1,3,4-oxadiazin-2-ol

Chemical Property of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 54.18000
• Density: 1.2g/cm³
• LogP: 1.09310
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.089877630
• Heavy Atom Count: 15
• Complexity: 295

Purity/Quality:

2H-1,3,4-OXADIAZIN-2-ONE, 3,6-DIHYDRO-5,6-DIMETHYL-6-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NNC(=O)OC1(C)C2=CC=CC=C2

Technology Process of 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl-

There total 2 articles about 2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5,6-dimethyl-6-phenyl- 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'-[2-Hydroxy-1-methyl-2-phenyl-prop-(E)-ylidene]-hydrazinecarboxylic acid methyl ester → dimethyl-5,6 phenyl-6 dihydro-3,6 oxadiazine-1,3,4 ones-2 (105889-05-2)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; benzene; for 40h; Heating;

Reference yield:

N'-[2-Hydroxy-1-methyl-2-phenyl-prop-(E)-ylidene]-hydrazinecarboxylic acid ethyl ester → dimethyl-5,6 phenyl-6 dihydro-3,6 oxadiazine-1,3,4 ones-2 (105889-05-2)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; benzene; for 40h; Heating;

Reference yield:

benzyl chloride (100-44-7) + dimethyl-5,6 phenyl-6 dihydro-3,6 oxadiazine-1,3,4 ones-2 (105889-05-2) → 3-Benzyl-5,6-dimethyl-6-phenyl-3,6-dihydro-[1,3,4]oxadiazin-2-one (105889-07-4)

Guidance literature:

With sodium ethanolate; Multistep reaction; 1) EtOH, 12 h, RT, 2) EtOH, 48 h, 45 deg C;

Downstream raw materials:

3-Benzyl-5,6-dimethyl-6-phenyl-3,6-dihydro-[1,3,4]oxadiazin-2-one

3,5,6-Trimethyl-6-phenyl-3,6-dihydro-[1,3,4]oxadiazin-2-one

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