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Chemical Structure| 18871-66-4 Chemical Structure| 18871-66-4

Structure of 18871-66-4

Chemical Structure| 18871-66-4

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Product Details of [ 18871-66-4 ]

CAS No. :18871-66-4
Formula : C6H15NO2
M.W : 133.19
SMILES Code : CC(OC)(N(C)C)OC
MDL No. :MFCD00008476
InChI Key :FBZVZUSVGKOWHG-UHFFFAOYSA-N
Pubchem ID :87835

Safety of [ 18871-66-4 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H225-H302-H311+H331-H315-H319-H335-H371
Precautionary Statements:P210-P233-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P312+P330-P303+P361+P353-P304+P340+P311-P305+P351+P338-P308+P311-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
Class:3
UN#:1993
Packing Group:

Application In Synthesis of [ 18871-66-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 18871-66-4 ]

[ 18871-66-4 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 21230-43-3 ]
  • [ 18871-66-4 ]
  • [ 116519-75-6 ]
  • 2
  • [ 5423-53-0 ]
  • [ 18871-66-4 ]
  • N'-(7-chloro-1,2,4-benzotriazin-3-yl)-N,N-dimethylacetamidine [ No CAS ]
  • 3
  • [ 700-06-1 ]
  • [ 18871-66-4 ]
  • [ 31771-46-7 ]
  • 4
  • [ 18871-66-4 ]
  • [ 2040-05-3 ]
  • [ 915069-77-1 ]
YieldReaction ConditionsOperation in experiment
Method 6; General procedure: A mixture of the ketone (1.0 eq.) and N,N-dimethylacetamide dimethylacetal (1.0 eq.) were heated together in a microwave at 180° C. for 10 minutes. The resulting gum was re-dissolved in EtOH (0.5 M), guanidine HCl (3.0 eq.) added and the mixture was heated in the microwave at 180° C. for 30 minutes. The reaction mixture was worked up by pouring into water and extracting with CH2Cl2 (.x.2) and dried over MgSO4. The product was filtered and evaporated to dryness. Purification by column chromatography gave the product.
  • 5
  • [ 18871-66-4 ]
  • [ 1885-32-1 ]
  • 2,3,8-trimethylquinazolin-4-one [ No CAS ]
  • 6
  • [ 60-35-5 ]
  • [ 18871-66-4 ]
  • [ 108290-86-4 ]
  • ethyl 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
36% [00179] A suspension of acetamide (590 mg, 10 mmol) and 1,1-dimethoxy-N,N- dimethylethan-1-amine (1.33 g, 10 mmol) in toluene (20 mL) was heated to reflux for 2 h followed by the addition of a solution of <strong>[108290-86-4]ethyl 2-amino-1H-pyrrole-3-carboxylate</strong> (1.54 g, 10 mmol) in acetic acid (2 mL). The reaction mixture was stirred at reflux for 4 h, then cooled to RT and concentrated in vacuo. The resulting residue was purified by silica gel chromatography (PE/EA; 1/2) to give ethyl 2,4-dimethylpyrrolo[1,2-a][1,3,5]triazine-8-carboxylate (780 mg, 36%) as a yellow solid.1H NMR (500 MHz, DMSO-d6) delta 7.54 (d, J = 3.5 Hz, 1H), 7.26 (d, J = 3.5 Hz, 1H), 4.26 (d, J = 7.0 Hz, 2H), 2.76 (s, 3H), 2.55 (s, 3H), 1.30 (t, J = 7.0 Hz, 3H). LC- MS m/z: 220.0 [M+H]+. LC-MS Purity (214 nm): 96%; tR = 1.43 min.
  • 7
  • [ 18871-66-4 ]
  • [ 1068-57-1 ]
  • [ 145901-11-7 ]
  • 6-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
A mixture of lH-pyrrolo[2,3-b]pyridin-6-amine (2 g, 15.02 mmol, 1 eq), l, l-dimethoxy-N,N- dimethyl-ethanamine (18.22 g, 136.80 mmol, 20.00 mL, 9.11 eq) was stirred at 130 C for 1 h. The mixture was cooled to 0 C, cone. HC1 (4 mL) was added dropwise, followed by acetohydrazide (6.68 g, 90.12 mmol, 6 eq) and the resulting mixture was stirred at 0 C for 30 min. Then, the temperature was raised to 130 C and the solution was stirred for another 2 h. The resulting solution was concentrated. The residue was purified by column chromatography (SiCK DCM/MeOH = 70/1 to 7/1) to afford the title compound (10.5 g, crude, HC1) as a yellow oil. (Note: The reaction was combined with another reaction in 200 mg scale for work up)
 

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[ 18871-66-4 ]

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