[ CAS No. 97-36-9 ] {[proInfo.proName]}

Name: 97-36-9|N-(2,4-Dimethylphenyl)-3-oxobutyramide|99+%
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SKU: A943670
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Quality Control of [ 97-36-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 97-36-9 ]

Product Details of [ 97-36-9 ]

CAS No. :	97-36-9	MDL No. :	MFCD00039836
Formula :	C₁₂H₁₅NO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HGVIAKXYAZRSEG-UHFFFAOYSA-N
M.W :	205.25	Pubchem ID :	222464
Synonyms :

Calculated chemistry of [ 97-36-9 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.33
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	60.5
TPSA :	46.17 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.05
Log Po/w (XLOGP3) :	1.86
Log Po/w (WLOGP) :	2.03
Log Po/w (MLOGP) :	1.75
Log Po/w (SILICOS-IT) :	2.62
Consensus Log Po/w :	2.06

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.32
Solubility :	0.991 mg/ml ; 0.00483 mol/l
Class :	Soluble
Log S (Ali) :	-2.45
Solubility :	0.727 mg/ml ; 0.00354 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.92
Solubility :	0.0247 mg/ml ; 0.000121 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.35

Safety of [ 97-36-9 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H319	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 97-36-9 ]

* 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 [ 97-36-9 ]

[ 97-36-9 ] Synthesis Path-Downstream 1~87

1
[ 674-82-8 ]
[ 95-68-1 ]
[ 97-36-9 ]

Yield	Reaction Conditions	Operation in experiment
98%	In ethanol; at 23 - 40℃; for 4.5h;Inert atmosphere; Autoclave; Large scale;	After replacing the air in the autoclave with nitrogen, the reaction vessel was sealed, 2000 L of ethanol and 400 kg of 2,4-dimethylaniline were added to the autoclave at a stirring rate of 80 rpm at 23 C, The resulting mixture 292kg of diketene was added over 1.5 hours for acetylation; The resulting reaction product was incubated at 40 C for 3 hours; The resulting heat-treated product was cooled to 6 C, filtered, dried, get acetoacetyl 2,4-dimethylaniline. The yield of the acetoacetyl-2,4-dimethylaniline preparation method provided by Example 1 of the present invention was tested according to the method described above, and the test result was the acetoacetyl 2,4-dimethylaniline preparation prepared in Example 1 of the present invention The yield of the method was 98%.

Reference： [1]Patent: CN103951582,2016,B .Location in patent: Paragraph 0035; 0036; 0038
[2]Journal of the American Chemical Society,1946,vol. 68,p. 644,645
[3]Patent: EP1712544,2006,A1 .Location in patent: Page/Page column 4-5
[4]Tetrahedron Letters,2008,vol. 49,p. 5217 - 5219

2
[ 97-36-9 ]
[ 42414-28-8 ]

Reference： [1]Journal of the American Chemical Society,1946,vol. 68,p. 644,645

3
[ 97-36-9 ]
[ 42056-96-2 ]

Reference： [1]Journal of the Indian Chemical Society,1943,vol. 20,p. 389

5
[ 97-36-9 ]
[ 31009-96-8 ]

Reference： [1]Journal of the Indian Chemical Society,1943,vol. 20,p. 389
[2]Zeitschrift fur Naturforschung. Teil B. Anorganische Chemie, organische Chemie, Biochemie, Biophysik, Biologie,1970,vol. 25,p. 1386 - 1388
[3]Tetrahedron Letters,2008,vol. 49,p. 5217 - 5219

6
[ 97-36-9 ]
3-amino-crotonic acid-(2,4-dimethyl-anilide) [ No CAS ]

Reference： [1]Journal of the Chemical Society,1935,p. 111,112

7
[ 97-36-9 ]
[ 55213-76-8 ]

Reference： [1]Journal of the Indian Chemical Society,1952,vol. 29,p. 709

8
[ 141-97-9 ]
[ 95-68-1 ]
[ 97-36-9 ]

Reference： [1]Medicinal Chemistry Research,2014,vol. 23,p. 2417 - 2425
[2]Journal of the Indian Chemical Society,1932,vol. 9,p. 127,130,471,475
[3]Helvetica Chimica Acta,1928,vol. 11,p. 780
[4]European Journal of Medicinal Chemistry,2008,vol. 43,p. 2103 - 2115
[5]New Journal of Chemistry,2019,vol. 43,p. 17046 - 17057
[6]New Journal of Chemistry,2020,vol. 44,p. 4049 - 4060

9
[ 97-36-9 ]
[ 119-26-6 ]
3-(2,4-dinitro-phenylhydrazono)-butyric acid-(2,4-dimethyl-anilide) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1946,vol. 68,p. 644,645

10
[ 97-36-9 ]
[ 95-68-1 ]
3-(2,4-dimethyl-anilino)-crotonic acid-(2,4-dimethyl-anilide) [ No CAS ]

Reference： [1]Journal of the Chemical Society,1935,p. 111,112

11
[ 50-00-0 ]
[ 97-36-9 ]
[ 42414-23-3 ]

Reference： [1]Journal of Organic Chemistry,1963,vol. 28,p. 314 - 320

12
[ 97-36-9 ]
[ 1123-89-3 ]
[ 13888-26-1 ]

Reference： [1]Chemische Berichte,1967,vol. 100,p. 1385 - 1388

13
[ 97-36-9 ]
ω-bromo-2,4-acetoacetxylidide [ No CAS ]

Reference： [1]Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical,1986,vol. 25,p. 582 - 584

14
[ 97-36-9 ]
[ 97-00-7 ]
[ 35451-83-3 ]

Reference： [1]Indian Journal of Chemistry,1971,vol. 9,p. 1420 - 1421

20
[ 75-15-0 ]
[ 97-36-9 ]
2) methyl halide [ No CAS ]
[ 146140-55-8 ]

Reference： [1]Synthesis,1992,p. 1291 - 1294

21
[ 97-36-9 ]
[ 99-61-6 ]
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid bis-[(2,4-dimethyl-phenyl)-amide] [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 1993 - 1998

22
[ 97-36-9 ]
[ 100-52-7 ]
2,6-dimethyl-4-phenyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid bis-[(2,4-dimethyl-phenyl)-amide] [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 1993 - 1998

23
[ 97-36-9 ]
[ 3446-89-7 ]
2,6-dimethyl-4-(4-methylsulfanyl-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid bis-[(2,4-dimethyl-phenyl)-amide] [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2001,vol. 9,p. 1993 - 1998

24
[ 97-36-9 ]
[ 3524-06-9 ]
7-methoxy-3-methyl-1,4-dioxy-quinoxaline-2-carboxylic acid (2,4-dimethyl-phenyl)-amide [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 6917 - 6923

25
[ 55809-36-4 ]
[ 97-36-9 ]
2-(2-(5-tert-butylisoxazol-3-yl)hydrazono)-N-(2,4-dimethylphenyl)-3-oxobutanamide [ No CAS ]

Reference： [1]Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,2007,vol. 68,p. 918 - 926

26
[ 97-36-9 ]
[ 107-91-5 ]
[ 957376-09-9 ]

Reference： [1]Heteroatom Chemistry,2007,vol. 18,p. 341 - 346

27
[ 110-52-1 ]
[ 97-36-9 ]
1-acetyl-N-(2,4-dimethylphenyl)cyclopentanecarboxamide [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3651 - 3653
[2]Chemical Communications,2013,vol. 49,p. 7358 - 7360
[3]Advanced Synthesis and Catalysis,2019,vol. 361,p. 160 - 169

28
[ 97-36-9 ]
[ 109-64-8 ]
[ 958650-22-1 ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 8593 - 8596

29
[ 97-36-9 ]
[ 590-17-0 ]
2-(cyanomethyl)-N-(2,4-dimethylphenyl)-3-oxobutanamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 9808 - 9810

30
[ 97-36-9 ]
C₂₅H₂₂N₄O₄S [ No CAS ]

Reference： [1]Heteroatom Chemistry,2007,vol. 18,p. 341 - 346

31
[ 97-36-9 ]
C₂₅H₂₁ClN₄O₄S [ No CAS ]

Reference： [1]Heteroatom Chemistry,2007,vol. 18,p. 341 - 346

32
[ 97-36-9 ]
N⁶-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(coumarin-3-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide [ No CAS ]

Reference： [1]Heteroatom Chemistry,2007,vol. 18,p. 341 - 346

33
[ 97-36-9 ]
N⁶-(2,4-dimethylphenyl)-5-methyl-4-oxo-2-(6-chlorocoumarin-3-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide [ No CAS ]

Reference： [1]Heteroatom Chemistry,2007,vol. 18,p. 341 - 346

34
[ 97-36-9 ]
2,5,7,9-tetramethyl-3,4-dihydro-2H-pyrano[2,3-b]quinoline [ No CAS ]

Reference： [1]Organic Letters,2007,vol. 9,p. 3651 - 3653

35
[ 97-36-9 ]
4-bromo-5-(3-bromopropyl)-1-(2,4-dimethylphenyl)-6-oxo-1,6-dihydropyridine-3-carbaldehyde [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 8593 - 8596

36
[ 97-36-9 ]
4-chloro-5-(3-chloropropyl)-1-(2,4-dimethylphenyl)-6-oxo-1,6-dihydropyridine-3-carbaldehyde [ No CAS ]

Reference： [1]Journal of Organic Chemistry,2007,vol. 72,p. 8593 - 8596

37
[ 97-36-9 ]
3-Acetyl-6,8-dimethyl-4-methylsulfanyl-1H-quinolin-2-one [ No CAS ]

Reference： [1]Synthesis,1992,p. 1291 - 1294

38
[ 97-36-9 ]
3-(2,4-dimethyl-anilino)-crotonic acid-(2,4-dimethyl-anilide) [ No CAS ]

Reference： [1]Journal of the Chemical Society,1935,p. 111,112

39
[ 97-36-9 ]
[ 88565-88-2 ]

Reference： [1]Journal of the American Chemical Society,1946,vol. 68,p. 644,645

40
[ 97-36-9 ]
[ 139719-24-7 ]

Reference： [1]Journal of the American Chemical Society,1946,vol. 68,p. 644,645

41
[ 97-36-9 ]
[ 15113-02-7 ]

Reference： [1]Journal of the American Chemical Society,1946,vol. 68,p. 644,645

42
[ 95-68-1 ]
[ 97-36-9 ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 9 Preparation of the Solidified Melt of m-acetoacetoxylidide As in Example 2, the corresponding reaction of diketenes and m-xylidine gave a melt having a water content of 7 percent by weight and a melting point of 74 C., which was processed to give pastilles according to Example 6. 60 g of the resulting m-acetoacetoxylidide (moist, m-acetoacetoxylidide content 92.5 percent, water content 7 percent) dissolved at 20 C. in 700 ml of a 0.5 M aqueous sodium hydroxide solution in about 18 minutes.

Reference： [1]Patent: US6586631,2003,B1

43
[ 1310-73-2 ]
[ 97-36-9 ]
[ 4433-79-8 ]
[ 91-94-1 ]

Yield	Reaction Conditions	Operation in experiment
	With acetic acid; In water;	Use Example 3 60.2 parts of <strong>[97-36-9]1-acetoacetylamino-2,4-dimethylbenzene</strong> and 6.1 parts of 1-acetoacetylamino-2,5-dimethoxy-4-chlorobenzene are dissolved in 900 parts of water and 31 parts by volume of 33% sodiumhydroxide solution and precipitated, after addition of 1.5 parts of a fatty alcohol polyglycol ether, by means of 22 parts by volume of acetic acid. After addition of 2.5 parts of the product from Preparation Example 8, the precipitated product is coupled with a solution of tetrazotized 4,4'-diamino3,3'-dichlorobiphenyl, the tetrazonium salt solution being prepared by addition of 60 parts by volume of aqueous 5-normal sodium nitrite solution to give a mixture of 38 parts of 4,4'-diamino-3,3'-dichlorobiphenyl, 183 parts by volume of 5-normal hydrochloric acid and 520 parts of water.

Reference： [1]Patent: US5420315,1995,A

44
trisodium hexanitrocobaltate(III) [ No CAS ]
[ 97-36-9 ]
sodium dinitrobis(o-acetoacetoxylidide)cobalt(III) [ No CAS ]

Reference： [1]Synthesis and Reactivity in Inorganic and Metal-Organic Chemistry,1980,vol. 10,p. 349 - 358

45
[ 97-36-9 ]
[ 555-16-8 ]
[ 57-13-6 ]
[ 431076-56-1 ]

Reference： [1]European Journal of Medicinal Chemistry,2008,vol. 43,p. 2103 - 2115

46
[ 97-36-9 ]
[ 123-08-0 ]
[ 57-13-6 ]
[ 499209-30-2 ]

Reference： [1]European Journal of Medicinal Chemistry,2008,vol. 43,p. 2103 - 2115

47
C₃₆H₆₇NO₁₃ [ No CAS ]
[ 97-36-9 ]
[ 5329-14-6 ]
C₄₈H₇₉N₃O₁₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		EXAMPLE 24 [00074] [C00029] [00075] The 4-Aminophenol (50 g, 0.069 mol) from Example 5, water (40 g), 2-ethylhexanol (0.6 g) and muriatic acid (17 g) were combined in a reaction vessel and cooled to 0 C. At 0 C., a solution of sodium nitrite (4.80 g, 0.070 mol) in water (20 g) was added at a rate such that the temperature did not exceed 5 C. After the addition, the reaction proceeded at 0-5 C. for one hour. Sulfamic acid was used to destroy excess nitrous acid (determined by starch-iodine paper). The diazonium salt solution was added to the coupling solution cooled to 5 C. The coupling solution consisted of acetoacet-m-xylidide (14.15 g, 0.069 mol), caustic (13 g), versene (13 g) and water (180 ml). After stirring for two hours at room temperature, the pH was adjusted to 7.5 using 93% sulfuric acid. The mixture was heated to 70 C. and transferred to a separation funnel. After cooling to room temperature, the bottom product layer was collected, combined with water (100 ml) and the resulting solution heated to 70 C. After phase separation, the bottom product layer was stripped of water via rotary evaporation. 35 g of product were collected as a yellow viscous liquid (structure above) with a color-strength of 33.1 abs./g/L (MeOH) and the maximum absorbency at 388 nm.

Reference： [1]Patent: US6667392,2003,B2 .Location in patent: Page 13-15

48
[ 97-36-9 ]
[ 4637-24-5 ]
[ 1092368-99-4 ]

Reference： [1]Journal of Organic Chemistry,2008,vol. 73,p. 9504 - 9507

49
[ 75-15-0 ]
[ 97-36-9 ]
[ 540-51-2 ]
[ 1155709-34-4 ]

Reference： [1]Synthesis,2009,p. 824 - 828

50
[ 97-36-9 ]
[ 1182302-49-3 ]

Reference： [1]Advanced Synthesis and Catalysis,2009,vol. 351,p. 2217 - 2223

51
[ 91-94-1 ]
[ 97-36-9 ]
[ 4433-79-8 ]
[ 124236-34-6 ]

Yield	Reaction Conditions	Operation in experiment
		Tetrazotized 3,3'-dichlorobenzidine (DCB) was prepared by adding 40.0 parts of DCB to 60.0 parts of 30 % hydrochloric acid and 350 parts of water and stirring for 120 minutes with constant speed to form a homogenous suspension. The suspension was cooled with ice to -4 0C. A slurry of 22.5 parts of sodium nitrite and 30 parts of water was prepared using a high speed mixer and added rapidly to the DCB suspension. Stirring was continued for 60 min. at a temperature of -2 to 0 0C. The excess nitrous acid was then destroyed by the addition of approximately 0.5 part sulfamic acid.\|0027\| A fine suspension of coupler was prepared by adding 37.0 parts 4-chloro-2,5~ dimethoxy-acetoacetanilide, 37.0 parts 2,4-dimethyl-acetoecetanilide, and 2.8 parts of acetoacet-4-sulfanilamide potassium salt to 400 parts of water and 60.0 parts of 28% sodium hydroxide; the mixture was stirred at 35 0C until all solids were dissolved.[0028\| A mixture of 800 parts water, 14.8 parts 30 % hydrochloric acid and 36.5 parts 66 % acetic acid was prepared. 7.4 parts of 70 % octadecylamine-octadececyl guanidine polyoxy ethanol and 17.1 parts of 35%. Coco-trimethyl ammonium chloride was added and the mixture was stirred constantly. The temperature of the resulting solution was adjusted to 0 0C with the addition of ice and thereafter the coupler solution was slowly <n="8"/>added to form a fine precipitation of coupler. Stirring was maintained throughout coupler preparation and the coupling reaction.10029] Coupling was then carried out by adding the solution of tetrazotized DCB to the fine suspension of coupler over a period of 90 minutes. The pH of the reaction mixture was kept at approximately 4.5 by simultaneous addition of 14% sodium hydroxide. Stirring was continued until no excess tetrazotized DCB remained. 23.3 parts of polypropoxy ditallow amine was dissolved in 225 parts of water and 3.2 parts of 66 % acetic acid at 80 0C and added to the reaction vessel. After adjusting the pH to 10.7 the temperature was increased to 85 0C. The resulting pigment slurry was stirred an additional 60 minutes, filtered, washed and spray dried, to afford 133 parts of a pigment yellow mixture.

Reference： [1]Patent: WO2009/129455,2009,A2 .Location in patent: Page/Page column 6; 7

52
[ 97-36-9 ]
[ 103-72-0 ]
[ 1149748-02-6 ]

Reference： [1]Synthesis,2009,p. 1797 - 1800

53
[ 97-36-9 ]
[ 100-52-7 ]
[ 17356-08-0 ]
[ 455927-05-6 ]

Reference： [1]Russian Journal of Organic Chemistry,2009,vol. 45,p. 1581 - 1582

54
[ 97-36-9 ]
[ 147-85-3 ]
[ 35938-97-7 ]

Reference： [1]Organic Letters,2010,vol. 12,p. 4220 - 4223

55
[ 96-31-1 ]
[ 97-36-9 ]
[ 100-52-7 ]
[ 1255416-54-6 ]

Reference： [1]Journal of Organic Chemistry,2010,vol. 75,p. 7954 - 7957

56
[ 97-36-9 ]
[ 74-88-4 ]
[ 1095943-89-7 ]

Reference： [1]Heterocycles,2008,vol. 75,p. 2681 - 2701

57
[ 75-15-0 ]
[ 74-96-4 ]
[ 97-36-9 ]
C₁₅H₁₉NS₂O₂CH₂CH₂ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 2466 - 2473

58
[ 97-36-9 ]
C₁₇H₂₅NO₂S₂ [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 2466 - 2473

59
[ 97-36-9 ]
[ 1307836-78-7 ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 2466 - 2473

60
[ 97-36-9 ]
[ 100-52-7 ]
[ 57-13-6 ]
[ 681472-85-5 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2010,vol. 46,p. 856 - 858

61
[ 1352630-25-1 ]
[ 5394-63-8 ]
[ 97-36-9 ]
[ 1352630-37-5 ]

Reference： [1]European Journal of Organic Chemistry,2011,p. 6085 - 6091

62
[ 97-36-9 ]
[ 121-33-5 ]
[ 78583-81-0 ]
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
50%	In N,N-dimethyl-formamide; for 0.166667h;Reflux;	General procedure: A mixture of aminoazole 1j-m (1 mmol), acetoacetamide 2a,b,d,e (1 mmol), and aromatic aldehyde 3b,d,f,g,h-o (1 mmol) in 0.1 mL of DMF was heated to reflux for 10 min. After cooling acetone (10 mL) was added and the precipitate formed was filtered out to give the solid compounds 13a-e, 14a-e or 15a-l, which were washed with acetone and air dried.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9389 - 9400

63
[ 97-36-9 ]
[ 120-14-9 ]
[ 5334-31-6 ]
5-(3,4-dimethoxyphenyl)-N₆-(2,4-dimethylphenyl)-7-hydroxy-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3,6-dicarboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
85%	In ethanol; at 25℃; for 1.5h;Sonication;	General procedure: A mixture of aminoazole 1c-e (1 mmol), acetoacetamide 2a,b,d (1 mmol), and aromatic aldehyde 3b,d-g (1 mmol) in 10 mL of ethanol was ultrasonicated at room temperature for 90 min in a round-bottom flask equipped with a condenser. The reaction mixture was allowed to stand up to 12 h at room temperature and then was filtered out to give the solid compounds 6a-e, which were washed with ethanol and air dried. Reaction products were obtained in high purity and did not require further purification by recrystallization.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9389 - 9400

64
[ 97-36-9 ]
[ 120-14-9 ]
[ 5334-31-6 ]
[ 1349163-31-0 ]

Yield	Reaction Conditions	Operation in experiment
65%	In N,N-dimethyl-formamide; for 0.166667h;Reflux;	General procedure: A mixture of aminoazole 1c-e (1 mmol), acetoacetamide 2a,b,d (1 mmol), and aromatic aldehyde 3b,d-g (1 mmol) in 0.1 mL of DMF was heated to reflux for 10 min. After cooling acetone (10 mL) was added. The precipitate formed was filtered out to give the solid dihydropyrimidines 7a-e, which were washed with acetone and air dried.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9389 - 9400

65
[ 97-36-9 ]
[ 1122-91-4 ]
[ 19541-95-8 ]
7-(4-bromoxyphenyl)-N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	In N,N-dimethyl-formamide; for 0.166667h;Reflux;	General procedure: A mixture of aminoazole 1j-m (1 mmol), acetoacetamide 2a,b,d,e (1 mmol), and aromatic aldehyde 3b,d,f,g,h-o (1 mmol) in 0.1 mL of DMF was heated to reflux for 10 min. After cooling acetone (10 mL) was added and the precipitate formed was filtered out to give the solid compounds 13a-e, 14a-e or 15a-l, which were washed with acetone and air dried.

Reference： [1]Tetrahedron,2011,vol. 67,p. 9389 - 9400

66
[ 97-36-9 ]
[ 104-88-1 ]
[ 126-81-8 ]
[ 1276306-85-4 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 728 - 730

67
[ 97-36-9 ]
[ 99-61-6 ]
[ 126-81-8 ]
[ 1282955-27-4 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 728 - 730

68
[ 97-36-9 ]
[ 555-16-8 ]
[ 126-81-8 ]
[ 1282452-28-1 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 728 - 730

69
[ 97-36-9 ]
[ 100-52-7 ]
[ 126-81-8 ]
[ 1284928-35-3 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 728 - 730

70
[ 97-36-9 ]
[ 123-11-5 ]
[ 126-81-8 ]
[ 1285112-70-0 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2011,vol. 47,p. 728 - 730

71
[ 97-36-9 ]
[ 1371607-83-8 ]

Reference： [1]Green Chemistry,2012,vol. 14,p. 1159 - 1162

72
[ 97-36-9 ]
[ 1017483-48-5 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 5643 - 5646

73
[ 97-36-9 ]
[ 104-55-2 ]
[ 1235694-09-3 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 5643 - 5646

74
[ 97-36-9 ]
[ 866871-73-0 ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 7076 - 7078

75
[ 97-36-9 ]
[ 1384290-60-1 ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 7076 - 7078

76
[ 97-36-9 ]
[ 1384290-63-4 ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 7076 - 7078

77
[ 97-36-9 ]
[ 1384290-43-0 ]

Reference： [1]Chemical Communications,2012,vol. 48,p. 7076 - 7078

78
[ 97-36-9 ]
[ 1393729-25-3 ]

Reference： [1]Beilstein Journal of Organic Chemistry,2013,vol. 9,p. 2681 - 2687
[2]Journal of Organic Chemistry,2012,vol. 77,p. 7665 - 7670

79
[ 97-36-9 ]
[ 1417647-06-3 ]

Reference： [1]Organic and Biomolecular Chemistry,2013,vol. 11,p. 542 - 544

80
[ 1963-36-6 ]
[ 97-36-9 ]
C₂₂H₂₁NO₃ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 1346 - 1349

81
[ 97-36-9 ]
[ 100-52-7 ]
[ 1422023-04-8 ]
[ 1422023-05-9 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 776 - 779

82
[ 97-36-9 ]
[ 1439365-70-4 ]

Reference： [1]Journal of Fluorine Chemistry,2013,vol. 151,p. 45 - 49

83
[ 97-36-9 ]
[ 1448691-72-2 ]

Reference： [1]Chemical Communications,2013,vol. 49,p. 7358 - 7360

84
[ 97-36-9 ]
[ 1477491-94-3 ]

Yield	Reaction Conditions	Operation in experiment
72%	With palladium diacetate; copper dichloride; In dichloromethane; at 20℃; for 8h;Schlenk technique;	General procedure: To a Schlenk tube were added successively 3-oxo-N-phenylbutanamide (1a) (177 mg, 1.0 mmol), CuCl2 (670 mg, 5.0 mmol), Pd(OAc)2 (0.012 mg, 0.05 mmol) and CH2Cl2 (3.0 mL), and the resulting soln stirred for 8 h at r.t. The mixture was then subjected to purification by preparative thin-layer chromatography (PE-EtOAc, 2:1) to afford product 2a Yield: 175.0 mg (71%); pale yellow crystals; mp 45.0-47.0 C. 1H NMR (400 MHz, CDCl3): delta = 10.95 (s, 1 H), 7.57 (d, J = 7.6 Hz, 2 H), 7.39 (t, J = 8.0 Hz, 2 H), 7.22 (t, J = 7.6 Hz, 1 H), 2.56 (s, 3 H). 13C NMR (100 MHz, CDCl3): delta = 200.4, 155.8, 142.1, 131.5, 129.2, 126.2, 121.3, 26.5.

Reference： [1]European Journal of Organic Chemistry,2013,p. 5376 - 5380
[2]Synthesis,2013,vol. 45,p. 2600 - 2604

85
[ 97-36-9 ]
[ 17122-33-7 ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 5376 - 5380

86
[ 97-36-9 ]
2,2-dibromo-N-(2,4-dimethylphenyl)acetamide [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 5376 - 5380

87
[ 97-36-9 ]
2,2-dibromo-N-(2,4-dimethylphenyl)-3-oxobutanamide [ No CAS ]

Reference： [1]European Journal of Organic Chemistry,2013,p. 5376 - 5380

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Code	Phrase
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H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 97-36-9 ] {[proInfo.proName]}

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[ 97-36-9 ] Synthesis Path-Downstream 1~87

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