Home Cart 0 Sign in  
X

[ CAS No. 1353973-60-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1353973-60-0
Chemical Structure| 1353973-60-0
Chemical Structure| 1353973-60-0
Structure of 1353973-60-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1353973-60-0 ]

Related Doc. of [ 1353973-60-0 ]

Alternatived Products of [ 1353973-60-0 ]

Product Details of [ 1353973-60-0 ]

CAS No. :1353973-60-0 MDL No. :MFCD21098362
Formula : C6H8ClN3O2S Boiling Point : -
Linear Structure Formula :- InChI Key :KZNZMBWUAGLCRI-UHFFFAOYSA-N
M.W : 221.66 Pubchem ID :58154325
Synonyms :

Calculated chemistry of [ 1353973-60-0 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.44
TPSA : 80.33 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.19
Log Po/w (XLOGP3) : 1.05
Log Po/w (WLOGP) : 1.47
Log Po/w (MLOGP) : -0.09
Log Po/w (SILICOS-IT) : 0.55
Consensus Log Po/w : 0.83

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.09
Solubility : 1.82 mg/ml ; 0.00822 mol/l
Class : Soluble
Log S (Ali) : -2.33
Solubility : 1.04 mg/ml ; 0.0047 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.208 mg/ml ; 0.000938 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.2

Safety of [ 1353973-60-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1353973-60-0 ]

* 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 [ 1353973-60-0 ]

[ 1353973-60-0 ] Synthesis Path-Downstream   1~45

  • 1
  • [ 1353973-60-0 ]
  • [ 269410-24-4 ]
  • [ 2758411-46-8 ]
YieldReaction ConditionsOperation in experiment
28.3% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h;
  • 2
  • [ 1480400-08-5 ]
  • [ 1353973-60-0 ]
  • [ 2758411-47-9 ]
YieldReaction ConditionsOperation in experiment
54.1% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h;
With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 3
  • [ 861851-10-7 ]
  • [ 1353973-60-0 ]
  • [ 2758411-49-1 ]
YieldReaction ConditionsOperation in experiment
26.7% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h;
  • 4
  • [ 1353973-60-0 ]
  • [ 2758411-89-9 ]
  • [ 2758411-67-3 ]
YieldReaction ConditionsOperation in experiment
20.7% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h;
  • 5
  • [ 24388-23-6 ]
  • [ 1353973-60-0 ]
  • [ 2758411-44-6 ]
YieldReaction ConditionsOperation in experiment
68.5% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane at 90℃; for 12h;
  • 6
  • [ 1021868-08-5 ]
  • C6H8ClN3O2S [ No CAS ]
  • N-methyl-2-(methylsulfonyl)-6-(quinolin-5-yl)pyrimidin-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
48.5% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 90℃; for 12h;
  • 7
  • [ 478258-67-2 ]
  • [ 1353973-60-0 ]
YieldReaction ConditionsOperation in experiment
82% With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; Synthesis procedure for 3 To a solution of 2 (1eq.) in DCM was added m-CPBA (2.5eq.) in an ice bath. The mixture was stirred at rt for 3 h under N2 atmosphere. The reaction solution was diluted with DCM, and then washed with Na2S2O3 (sat. aq.), NaOH solution (1M), water and brine, dried over anhydrous Na2SO4. The organic phase was filtered and concentrated to purify by column chromatography to give compound 3 as the desired product.
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;
  • 8
  • [ 6299-25-8 ]
  • [ 1353973-60-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: triethylamine / dimethyl sulfoxide / 6 h / 60 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere
  • 9
  • [ 1247006-48-9 ]
  • [ 1353973-60-0 ]
  • [ 2861918-26-3 ]
YieldReaction ConditionsOperation in experiment
43% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
43% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 10
  • [ 910462-34-9 ]
  • [ 1353973-60-0 ]
  • [ 2861918-25-2 ]
YieldReaction ConditionsOperation in experiment
44% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
44% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 11
  • [ 1350427-07-4 ]
  • [ 1353973-60-0 ]
  • [ 2861918-18-3 ]
YieldReaction ConditionsOperation in experiment
37% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
37% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 12
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-19-4 ]
YieldReaction ConditionsOperation in experiment
45% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
45% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 13
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-15-0 ]
YieldReaction ConditionsOperation in experiment
42% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
42% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 14
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-17-2 ]
YieldReaction ConditionsOperation in experiment
63% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
63% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 15
  • [ 1353973-60-0 ]
  • [ 2246709-09-9 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
67% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
67% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 16
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
31% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
31% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 17
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
44% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
44% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 18
  • [ 627899-90-5 ]
  • [ 1353973-60-0 ]
  • [ 2861918-10-5 ]
YieldReaction ConditionsOperation in experiment
59% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
59% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
58.8% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 19
  • [ 873078-93-4 ]
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
56% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
56% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 20
  • [ 2097277-05-7 ]
  • [ 1353973-60-0 ]
  • [ 2861918-28-5 ]
YieldReaction ConditionsOperation in experiment
51% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
51% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 21
  • [ 2306181-18-8 ]
  • [ 1353973-60-0 ]
  • [ 2861918-29-6 ]
YieldReaction ConditionsOperation in experiment
65.8% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
65.8% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 22
  • [ 861846-72-2 ]
  • [ 1353973-60-0 ]
  • [ 2861918-27-4 ]
YieldReaction ConditionsOperation in experiment
61% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
61% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; water monomer at 90℃; for 12h; Inert atmosphere; General synthesis procedure for DC-CBi 1-12, 13-14 General procedure: To a solution of 6 or 9 (1eq.) in 1,4-Dioxane/H2O (10/1) was added 3 (1.2eq.), Na2CO3 (3eq.) and Pd(PPh3)4 (0.1eq.). The mixture was purged with N2 for 3 times and stirred at 90 °C for 12h. The mixture was filtered and purified by column chromatography to give the desired product.
  • 23
  • [ 2135524-40-0 ]
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
37.7% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 24
  • [ 2243213-28-5 ]
  • [ 1353973-60-0 ]
  • [ 2861918-16-1 ]
YieldReaction ConditionsOperation in experiment
49.9% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 25
  • [ 1353973-60-0 ]
  • [ 2246858-04-6 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
58.9% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 26
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
71% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 27
  • [ 1353973-60-0 ]
  • [ 2246857-60-1 ]
  • [ 2861918-12-7 ]
YieldReaction ConditionsOperation in experiment
52.7% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 28
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-13-8 ]
YieldReaction ConditionsOperation in experiment
19.2% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 29
  • [ 1580442-17-6 ]
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
63.3% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 30
  • [ 1353973-60-0 ]
  • [ 2861918-73-0 ]
  • [ 2861918-07-0 ]
YieldReaction ConditionsOperation in experiment
30.1% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 31
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-08-1 ]
YieldReaction ConditionsOperation in experiment
54% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 32
  • [ 1353973-60-0 ]
  • [ 2861918-88-7 ]
  • [ 2861918-54-7 ]
YieldReaction ConditionsOperation in experiment
47.7% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 33
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-61-6 ]
YieldReaction ConditionsOperation in experiment
57.3% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 34
  • [ 1353973-60-0 ]
  • [ 2861918-93-4 ]
  • [ 2861918-58-1 ]
YieldReaction ConditionsOperation in experiment
67.3% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 35
  • [ 1353973-60-0 ]
  • [ 2861918-94-5 ]
  • [ 2861918-55-8 ]
YieldReaction ConditionsOperation in experiment
62.6% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 36
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-57-0 ]
YieldReaction ConditionsOperation in experiment
70.8% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 37
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-56-9 ]
YieldReaction ConditionsOperation in experiment
52.6% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 38
  • [ 916162-54-4 ]
  • [ 1353973-60-0 ]
  • [ 2861918-59-2 ]
YieldReaction ConditionsOperation in experiment
47.7% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 39
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ 2861918-11-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere 2: palladium 10% on activated carbon; hydrogen / methanol / 6 h / 20 °C
  • 40
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
50% With tetrakis-(triphenylphosphine)-palladium; anhydrous sodium carbonate In 1,4-dioxane; lithium hydroxide monohydrate at 90℃; for 12h; Sealed tube; Inert atmosphere;
  • 41
  • [ 1353973-60-0 ]
  • [ 2861918-34-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C 3: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere
  • 42
  • [ 1353973-60-0 ]
  • [ 2861918-77-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C
  • 43
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C
  • 44
  • [ 1353973-60-0 ]
  • [ 2861918-35-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: sodium hydrogen sulphide / 1,4-dioxane / 4 h / 50 °C / Inert atmosphere 2: potassium carbonate / methanol; 1,4-dioxane / 2 h / 20 °C 3: anhydrous sodium carbonate; tetrakis-(triphenylphosphine)-palladium / 1,4-dioxane; lithium hydroxide monohydrate / 12 h / 90 °C / Sealed tube; Inert atmosphere
  • 45
  • [ 1353973-60-0 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogen sulphide In 1,4-dioxane at 50℃; for 4h; Inert atmosphere;
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 1353973-60-0 ]

Chlorides

Chemical Structure| 97229-11-3

[ 97229-11-3 ]

4-Chloro-2-(methylsulfonyl)pyrimidine

Similarity: 0.85

Chemical Structure| 55329-22-1

[ 55329-22-1 ]

4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

Similarity: 0.78

Chemical Structure| 4489-34-3

[ 4489-34-3 ]

4,6-Dichloro-2-methylsulfonylpyrimidine

Similarity: 0.75

Chemical Structure| 57564-94-0

[ 57564-94-0 ]

4-Chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine

Similarity: 0.66

Chemical Structure| 1263314-16-4

[ 1263314-16-4 ]

4,6-Dichloro-5-ethyl-2-(methylsulfonyl)pyrimidine

Similarity: 0.66

Amines

Chemical Structure| 1379324-53-4

[ 1379324-53-4 ]

5-Bromo-2-(methylsulfonyl)pyrimidin-4-amine

Similarity: 0.72

Chemical Structure| 56621-92-2

[ 56621-92-2 ]

2-(Methylsulfonyl)pyrimidin-5-amine

Similarity: 0.68

Chemical Structure| 185040-32-8

[ 185040-32-8 ]

4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

Similarity: 0.59

Chemical Structure| 65766-32-7

[ 65766-32-7 ]

6-Chloro-N-methylpyrimidin-4-amine

Similarity: 0.59

Chemical Structure| 1005-39-6

[ 1005-39-6 ]

2-(Methylthio)pyrimidine-4,6-diamine

Similarity: 0.58

Sulfones

Chemical Structure| 97229-11-3

[ 97229-11-3 ]

4-Chloro-2-(methylsulfonyl)pyrimidine

Similarity: 0.85

Chemical Structure| 55329-22-1

[ 55329-22-1 ]

4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

Similarity: 0.78

Chemical Structure| 4489-34-3

[ 4489-34-3 ]

4,6-Dichloro-2-methylsulfonylpyrimidine

Similarity: 0.75

Chemical Structure| 14161-09-2

[ 14161-09-2 ]

2-(Methylsulfonyl)pyrimidine

Similarity: 0.73

Chemical Structure| 1379324-53-4

[ 1379324-53-4 ]

5-Bromo-2-(methylsulfonyl)pyrimidin-4-amine

Similarity: 0.72

Related Parent Nucleus of
[ 1353973-60-0 ]

Pyrimidines

Chemical Structure| 97229-11-3

[ 97229-11-3 ]

4-Chloro-2-(methylsulfonyl)pyrimidine

Similarity: 0.85

Chemical Structure| 55329-22-1

[ 55329-22-1 ]

4-Chloro-6-methyl-2-(methylsulfonyl)pyrimidine

Similarity: 0.78

Chemical Structure| 4489-34-3

[ 4489-34-3 ]

4,6-Dichloro-2-methylsulfonylpyrimidine

Similarity: 0.75

Chemical Structure| 14161-09-2

[ 14161-09-2 ]

2-(Methylsulfonyl)pyrimidine

Similarity: 0.73

Chemical Structure| 1379324-53-4

[ 1379324-53-4 ]

5-Bromo-2-(methylsulfonyl)pyrimidin-4-amine

Similarity: 0.72