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[ CAS No. 602306-61-6 ] {[proInfo.proName]}

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Chemical Structure| 602306-61-6
Chemical Structure| 602306-61-6
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Product Details of [ 602306-61-6 ]

CAS No. :602306-61-6 MDL No. :MFCD16250867
Formula : C11H15N5 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 217.27 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 602306-61-6 ]

* 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 [ 602306-61-6 ]

[ 602306-61-6 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 862686-53-1 ]
  • [ 593-85-1 ]
  • [ 602306-61-6 ]
YieldReaction ConditionsOperation in experiment
81% (2E)-3-(Dimethy lamino)- 1 -( 1 -isopropy 1-2-methy 1- 1 H-imidazol-5-y l)prop-2-en- 1 -one, (Method 24 of WO 03/076436 4.Og, 18 mmol) and guanidine carbonate (7.2g, 40 mmol) were pre-mixed in 2-methoxyethanol (80 ml) and heated at reflux for 30 hours. The reaction was allowed to cool before being quenched with water (50 ml). The reaction was then extracted with DCM (2 x 200 ml), dried and solvent was removed in vacuo to yield a yellow solid. The solid was dissolved in minimum amount of warm DCM, this was then allowed to cool before the addition of ether. An off white solid precipitated this was filtered and dried. The process was repeated to obtain second crop of product (3.18g, 81%). NMR (299.954 MHz, CDCl3) 8.22 (d, IH), 7.33 (s, IH), 6.80 (d, IH), 5.45 (septet, IH), 5.10 (s, 2H), 2.56 (s, 3H), 1.54 (d, 6H); m/z 218.
81% In 2-methoxy-ethanol; for 30h;Heating / reflux; (Method 24 of WO 03/076436 4.0 g, 18 mmol) and guanidine carbonate (7.2 g, 40 mmol) were pre-mixed in 2-methoxyethanol (80 ml) and heated at reflux for 30 hours. The reaction was allowed to cool before being quenched with water (50 ml). The reaction was then extracted with DCM (2 x 200 ml), dried and solvent was removed in vacuo to yield a yellow solid. The solid was dissolved in minimum amount of warm DCM, this was then allowed to cool before the addition of ether. An off white solid precipitated this was filtered and dried. The process was repeated to obtain second crop of product (3.18 g, 81%). NMR (299.954 MHz, CDCl3): 8.22 (d, IH), 7.33 (s, IH), 6.80 (d, IH), 5.45 (septet, IH), 5.10 (s, 2H), 2.56 (s, 3H), 1.54 (d, 6H); m/z 218.
81% In 2-methoxy-ethanol; for 30h;Heating / reflux; Method 14; 4-(3-Isopropyl-2-methyl-3//-imidazol-4-yl)-pyrimidin-2-ylamine; (2£)-3 -(Dimethy lamino)- 1 -( 1 -isopropy 1-2 -methyl- l//-imidazol-5-yi)prop-2-en- 1 -one, (Method 24 of WO 03/076436 4.Og, 18 mmol) and guanidine carbonate (7.2g, 40 mmol) were pre-mixed in 2-methoxyethanol (80 ml) and heated at reflux for 30 hours. The reaction was EPO <DP n="114"/>allowed to cool before being quenched with water (50 ml). The reaction was then extracted with DCM (2 x 200 ml), dried and solvent was removed in vacuo to yield a yellow solid. The solid was dissolved in minimum amount of warm DCM, this was then allowed to cool before the addition of ether. An off white solid precipitated this was filtered and dried. The process was repeated to obtain second crop of product (3.18g, 81%). NMR (299.954 MHz, CDCl3): 8.22 (d, IH), 7.33 (s, IH), 6.80 (d, IH), 5.45 (septet, IH), 5.10 (s, 2H), 2.56 (s, 3H), 1.54 (d, 6H); m/z 218.
  • 2
  • [ 602306-61-6 ]
  • [ 49608-01-7 ]
  • [ 909712-11-4 ]
  • [ 909711-88-2 ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1,4-dioxane; at 100℃; 2-Amino-4-(l-isopropyl-2-methyl-lH-imidazol-5-yl)pyrimidine (Method 39 of WO 03/076436, 477.4mg, 2.2mmol), ethyl 6-chloronicotinate (373mg, 2mmol), tris(dibenzylideneacetone)dipalladium(0) (9.2mg, 0.5mol%), BINAP (12.5mg, lmol%) and caesium carbonate (912.3mg, 2.8mmol) in anhydrous 1,4-dioxane (6ml) were evacuated and refilled with nitrogen (3 times). The reaction was heated under nitrogen at 1000C overnight. The residue obtained after evaporation of solvent under reduced pressure was partitioned between DCM and water and the aqueous layer was extracted with DCM twice. The organics were combined, washed with brine, dried and the solvent was evaporated to give a solid which was purified by chromatography eluting with MeOH:DCM:EtOAc (1:49.5:49.5 to 10:45:45). After trituration with ether and evaporation of the solvent, the title compound was obtained as a solid (1 :2 mixture ethykmethyl ester) which was dried in vac oven overnight at 50C (293.5mg, 40%). NMR for ethyl compound (400MHz): 1.34 (t, 3H), 1.48 (d, 6H), 2.58 (s, 3H under DMSO signal), 4.33 (q, 2H), 5.93 (septet, IH), 7.29 (d, IH), 7.57 (s, IH), 8.23 (dd, IH), 8.31 (d, IH), 8.52 (d, IH), 8.84 (d, IH), 10.43 (s, IH); m/z 367 & m/z 353.
  • 3
  • [ 602306-61-6 ]
  • [ 306745-64-2 ]
  • C21H24N6O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane
  • 4
  • [ 602306-61-6 ]
  • [ 292621-45-5 ]
  • C18H19FN6O [ No CAS ]
YieldReaction ConditionsOperation in experiment
With palladium diacetate; caesium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane
  • 5
  • [ 749927-69-3 ]
  • [ 602306-61-6 ]
  • C19H21FN6O [ No CAS ]
  • 6
  • [ 602306-61-6 ]
  • [ 749927-80-8 ]
  • C20H23FN6O [ No CAS ]
  • 7
  • [ 602306-61-6 ]
  • [ 18469-37-9 ]
  • C20H24N6O [ No CAS ]
  • 8
  • [ 602306-61-6 ]
  • [ 27466-83-7 ]
  • C19H22N6O [ No CAS ]
  • 9
  • [ 602306-61-6 ]
  • [ 54796-47-3 ]
  • [ 1204228-31-8 ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In 1,4-dioxane; at 130℃; for 13h; A mixture of Int-8 (434 mg, 2 mmol), <strong>[54796-47-3]5-bromo-4-methyl-thiophene-2-carboxylic acid methyl ester</strong> (705 mg, 3.0 mmol), Pd2(dba)3 (37 mg, 0.04 mmol), XantPhos (58 mg, 0.1 mmol) and Cs2CO3 (1.4 g, 4.4 mmol) in dioxane (12 mL) was heated in a pressure vessel at 130 C. After 13 hours, the reaction mixture was cooled to room temperature, diluted with THF, and filtered. The filtrate was concentrated and purified by Flash Chromatography (SiO2, 9:1:0.2/DCM:MeOH:triethylamine(TEA)) to give 5-[4-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-ylamino]-4-methyl-thiophene-2-carboxylic acid methyl ester. MS found for C18H21N5O2S as (M+H)+ 372.28.
  • 10
  • [ 602306-61-6 ]
  • [ 41731-83-3 ]
  • 2-[4-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-ylamino]-thiazole-5-carboxylic acid ethyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; In 1,4-dioxane; at 130℃; for 13h; A mixture of the Int-8 (434 mg, 2 mmol), <strong>[41731-83-3]2-bromo-thiazole-5-carboxylic acid ethyl ester</strong> (708 mg, 3.0 mmol), Pd2(dba)3 (37 mg, 0.04 mmol), XantPhos (58 mg, 0.1 mmol) and Cs2CO3 (1.4 g, 4.4 mmol) in dioxane (12 mL) was heated in a pressure vessel at 130 C. After 13 hours, the reaction mixture was cooled to room temperature, diluted with THF (30 mL), and filtered. The filtrate was concentrated and purified by Flash Chromatography (SiO2, 9:1:0.2/DCM:MeOH:TEA) to give 2-[4-(3-isopropyl-2-methyl-3H-imidazol-4-yl)-pyrimidin-2-ylamino]-thiazole-5-carboxylic acid ethyl ester. MS found for C17H20N6O2S as (M+H)+ 373.30.
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