[ CAS No. 38205-66-2 ] {[proInfo.proName]}

Name: 38205-66-2|1-(4-Thiazolyl)ethanone|98%
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Quality Control of [ 38205-66-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 38205-66-2 ]

Product Details of [ 38205-66-2 ]

CAS No. :	38205-66-2	MDL No. :	MFCD03550493
Formula :	C₅H₅NOS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SUCLFBXGJZQZEH-UHFFFAOYSA-N
M.W :	127.16	Pubchem ID :	3348031
Synonyms :

Calculated chemistry of [ 38205-66-2 ]

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.2
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	32.31
TPSA :	58.2 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.61
Log Po/w (XLOGP3) :	0.97
Log Po/w (WLOGP) :	1.35
Log Po/w (MLOGP) :	-0.56
Log Po/w (SILICOS-IT) :	2.37
Consensus Log Po/w :	1.15

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.64
Solubility :	2.94 mg/ml ; 0.0231 mol/l
Class :	Very soluble
Log S (Ali) :	-1.78
Solubility :	2.11 mg/ml ; 0.0166 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.59
Solubility :	3.28 mg/ml ; 0.0258 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.06

Safety of [ 38205-66-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 38205-66-2 ]

* 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.

Upstream synthesis route of [ 38205-66-2 ]
Downstream synthetic route of [ 38205-66-2 ]

[ 38205-66-2 ] Synthesis Path-Upstream 1~6

1
[ 769933-82-6 ]
[ 38205-66-2 ]

Yield	Reaction Conditions	Operation in experiment
94%	With hydrogenchloride In tetrahydrofuran at 20℃; for 1 h;	C) 1-Thiazol-4-yl-ethanone (4). A mixture of 3 (2.4 g, 12.4 mmol) and 4 mL of 5percent HCl in 40 mL of THF were stirred at rt for 1 h. The mixture was diluted with ether and washed with sat'd NaHCO3 and dried with Na2SO4 and concentrated in vacuo to give 1.44 g (94percent) of 4 as an oil that was used directly for the next step.

Reference： [1] Patent: WO2004/87698, 2004, A2, . Location in patent: Page 37; 50

2
[ 936371-70-9 ]
[ 917-64-6 ]
[ 38205-66-2 ]

Yield	Reaction Conditions	Operation in experiment
77%	Stage #1: at 0 - 20℃; for 0.666667 h; Stage #2: With hydrogenchloride; water In diethyl ether for 0.166667 h; Stage #3: With sodium hydroxide; water In diethyl ether	Preparation 96C; 1 -(thiazol-4-vOethanone; Methylmagnesium iodide (109 m L of 3M in ether, 325 mmol) was added dropwise at0⁰C to a stirred solution of N-methoxy-N-methylthiazoIe-4-carboxamide (37.4 g, 217 mmol) in ether (500 mL). The mixture was warmed to RT for 40 min and poured onto about 200 g of ice and 2N HCI (250 mL). After being stirred for 10 min the mixture was basified to pH >10 using 2N NaOH (about 200 mL). The layers were separated and the aqueous layer extracted <n="163"/>with ether (3 x 200 ml_). The combined organic layers were dried (MgSO₄) and concentrated giving an off-white solid (21.0 g, 77percent). ¹H NMR (CDCI₃) δ 8.81 (d, 1H₁ J = 2.1 Hz)₁ 8.19 (d, 1H₁ J = 2.1 Hz)₁ 2.68 (s, 3H).

Reference： [1] Patent: WO2008/4117, 2008, A1, . Location in patent: Page/Page column 161-162

3
[ 3973-08-8 ]
[ 917-54-4 ]
[ 38205-66-2 ]

Reference： [1] Organic Letters, 2011, vol. 13, # 19, p. 5358 - 5361

4
[ 68158-16-7 ]
[ 38205-66-2 ]

Reference： [1] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1994, # 3, p. 415 - 420
[2] Helvetica Chimica Acta, 1940, vol. 23, p. 197,204
[3] Zeitschrift fuer Chemie (Stuttgart, Germany), 1979, vol. 19, p. 21 - 22

5
[ 90817-58-6 ]
[ 38205-66-2 ]

Reference： [1] Pharmazie, 1983, vol. 38, # 12, p. 829 - 832

6
[ 1452-15-9 ]
[ 917-64-6 ]
[ 38205-66-2 ]

Reference： [1] Journal of Medicinal Chemistry, 1972, vol. 15, p. 982 - 985

[ 38205-66-2 ] Synthesis Path-Downstream 1~75

1
[ 38205-66-2 ]
[ 79-36-7 ]
dichloro-acetic acid-(2-oxo-2-thiazol-4-yl-ethylamide) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1955,vol. 77,p. 4054,4056

2
[ 38205-66-2 ]
dichloro-acetic acid-(1-hydroxymethyl-2-oxo-2-thiazol-4-yl-ethylamide) [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1955,vol. 77,p. 4054,4056

3
[ 68158-16-7 ]
[ 38205-66-2 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1994,p. 415 - 420
[2]Helvetica Chimica Acta,1940,vol. 23,p. 197,204
[3]Zeitschrift fur Chemie,1979,vol. 19,p. 21 - 22

4
[ 38205-66-2 ]
[ 719-59-5 ]
[ 69567-27-7 ]

Reference： [1]Zeitschrift fur Chemie,1978,vol. 18,p. 400 - 401

5
[ 38205-66-2 ]
[ 100-63-0 ]
[ 69808-92-0 ]

Reference： [1]Zeitschrift fur Chemie,1979,vol. 19,p. 21 - 22

6
[ 38205-66-2 ]
[ 38923-13-6 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

7
[ 1452-15-9 ]
[ 917-64-6 ]
[ 38205-66-2 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

8
[ 38205-66-2 ]
[ 129593-83-5 ]
[ 129593-87-9 ]

Reference： [1]Journal of Medicinal Chemistry,1990,vol. 33,p. 2870 - 2875

9
[ 38205-66-2 ]
Oxo-thiazol-4-yl-acetaldehyde [ No CAS ]

Reference： [1]Pharmazie,1983,vol. 38,p. 829 - 832

10
[ 38205-66-2 ]
1-Thiazol-4-yl-ethenol [ No CAS ]

Reference： [1]Journal of the Chemical Society. Perkin transactions II,1994,p. 415 - 420

11
[ 90817-58-6 ]
[ 38205-66-2 ]

Reference： [1]Pharmazie,1983,vol. 38,p. 829 - 832

13
[ 936371-70-9 ]
[ 917-64-6 ]
[ 38205-66-2 ]

Yield	Reaction Conditions	Operation in experiment
77%		Preparation 96C; 1 -(thiazol-4-vOethanone; Methylmagnesium iodide (109 m L of 3M in ether, 325 mmol) was added dropwise at00C to a stirred solution of N-methoxy-N-methylthiazoIe-4-carboxamide (37.4 g, 217 mmol) in ether (500 mL). The mixture was warmed to RT for 40 min and poured onto about 200 g of ice and 2N HCI (250 mL). After being stirred for 10 min the mixture was basified to pH >10 using 2N NaOH (about 200 mL). The layers were separated and the aqueous layer extracted <n="163"/>with ether (3 x 200 ml_). The combined organic layers were dried (MgSO4) and concentrated giving an off-white solid (21.0 g, 77%). 1H NMR (CDCI3) delta 8.81 (d, 1H1 J = 2.1 Hz)1 8.19 (d, 1H1 J = 2.1 Hz)1 2.68 (s, 3H).

Reference： [1]Patent: WO2008/4117,2008,A1 .Location in patent: Page/Page column 161-162

14
[ 38205-66-2 ]
[ 26489-43-0 ]

Yield	Reaction Conditions	Operation in experiment
76%	With pyridinium hydrobromide perbromide; hydrogen bromide; acetic acid; at 20 - 40℃;	Preparation 96D; 2-bromo-1 -fthiazol-4-yltethanone hvdrobromide; Pyridinium tribromide (42.1 g, 119 mmol of 90%) was added to a stirred solution of 1- (thiazol-4-yl)ethanone (15.1 g, 119 mmol), 33% HBr in acetic acid (320 mL, 178 mmol) and acetic acid (60 mL) at RT. The mixture was warmed to about 400C in a warm water bath and stirred at RT overnight. The suspension was filtered and the colorless solid washed with several portions of acetic acid and dried at 100 0C in vacuo. Yield 26 g, 76%. 1H NMR (CD3OD) showed a 2:1 mixture of ketone and corresponding trideuterioMeOH hemiketal forms. For the ketone form: delta 9.13 (d, 1H, J = 2 Hz)1 8.59 (d, 1H, J = 2 Hz)1 4.71 (s, 2H). For the hemiketal form: delta 9.98 (d. 1H, J = 2 Hz)1 8.17 (d. 1H1 J = 2 Hz)1 3.82 (A of AB1 1H . J = 11 Hz)1 3.75 (B of AB1 1 H, J = 11 Hz). About 10% of a third entity was present: delta 9.83 (d, 1 H1 J = 2 Hz)1 8.12 (d, 1H1 J = 2 Hz)1 3.88 (s, 2H). Anal. Calcd for C5H5Br2NOS: C1 20.93; H1 1.76; N1 4.88. Found: C, 21.39; H, 1.79; N14.90.

Reference： [1]Patent: WO2008/4117,2008,A1 .Location in patent: Page/Page column 162

15
[ 38205-66-2 ]
[ 69817-79-4 ]

Reference： [1]Pharmazie,1983,vol. 38,p. 829 - 832

16
[ 38205-66-2 ]
[ 38922-68-8 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

17
[ 38205-66-2 ]
[ 39031-46-4 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

18
[ 38205-66-2 ]
[ 38922-93-9 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

19
[ 38205-66-2 ]
[ 38922-98-4 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

20
[ 38205-66-2 ]
[ 38922-92-8 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

21
[ 38205-66-2 ]
[ 38922-86-0 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

22
[ 38205-66-2 ]
[ 38922-90-6 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

23
[ 38205-66-2 ]
[ 38922-89-3 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

24
[ 38205-66-2 ]
[ 39031-48-6 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

25
[ 38205-66-2 ]
[ 38923-04-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

26
[ 38205-66-2 ]
[ 38923-02-3 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

27
[ 38205-66-2 ]
[ 38923-00-1 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

28
[ 38205-66-2 ]
[ 38922-73-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

29
[ 38205-66-2 ]
[ 38923-05-6 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

30
[ 38205-66-2 ]
[ 38923-03-4 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

31
[ 38205-66-2 ]
[ 38923-07-8 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

32
[ 38205-66-2 ]
[ 38922-99-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

33
[ 38205-66-2 ]
[ 39031-47-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

34
[ 38205-66-2 ]
[ 38922-85-9 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

35
[ 38205-66-2 ]
[ 38922-87-1 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

36
[ 38205-66-2 ]
[ 38922-88-2 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

37
[ 38205-66-2 ]
[ 38922-94-0 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

38
[ 38205-66-2 ]
[ 38923-01-2 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

39
[ 38205-66-2 ]
[ 36911-63-4 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

40
[ 38205-66-2 ]
[ 38923-06-7 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

41
[ 38205-66-2 ]
[ 36911-64-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

42
[ 38205-66-2 ]
[ 38922-91-7 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

43
[ 38205-66-2 ]
[ 38923-11-4 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

44
[ 38205-66-2 ]
[ 38923-12-5 ]

Reference： [1]Journal of Medicinal Chemistry,1972,vol. 15,p. 982 - 985

45
[ 38205-66-2 ]
[ 4637-24-5 ]
3-dimethylamino-l-thiazol-4-yl-propenone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
25%	at 90℃; for 16h;	D) 3-Dimethylamino-l-thiazol-4-yl-propenone (5). A solution of 4 (2.48g, 0. 124 MOL) in 7.5 mL of DMF-DMA was heated at 90C in a sealed tube for 16 h. The precipitate that formed upon cooling was collected to give 0.5 g (25%) of the desired enaminone 5. Reaction of enaminone 5 and 6a under the general conditions described above and herein yields desired compounds 7a.

Reference： [1]Patent: WO2004/87698,2004,A2 .Location in patent: Page 37; 50

46
[ 769933-82-6 ]
[ 38205-66-2 ]

Yield	Reaction Conditions	Operation in experiment
94%	With hydrogenchloride; In tetrahydrofuran; at 20℃; for 1h;	C) 1-Thiazol-4-yl-ethanone (4). A mixture of 3 (2.4 g, 12.4 mmol) and 4 mL of 5% HCl in 40 mL of THF were stirred at rt for 1 h. The mixture was diluted with ether and washed with sat'd NaHCO3 and dried with Na2SO4 and concentrated in vacuo to give 1.44 g (94%) of 4 as an oil that was used directly for the next step.

Reference： [1]Patent: WO2004/87698,2004,A2 .Location in patent: Page 37; 50

47
[ 38205-66-2 ]
[ 144-55-8 ]
[ 41040-89-5 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; sodium borohydrid; In water; isopropyl alcohol;	EXAMPLE 6 Methyl 4-thiazolyl ketone (12.7 g.) is added to 3.8 g. of sodium borohydride in 100 ml. of isopropanol and the mixture is heated at reflux for four hours. Dilute hydrochloric acid (100 ml.) is added and the mixture is evaporated to dryness. The residue is dissolved in a small volume of water and the aqueous solution is made basic with 5% aqueous sodium bicarbonate solution, then evaporated to dryness. The residue is extracted with ether and the ether is removed from the extract in vacuo to give alpha-(4-thiazolyl)ethanol.
	With hydrogenchloride; sodium borohydrid; In water; isopropyl alcohol;	EXAMPLE 9 Methyl 4-thiazolyl ketone (12.7 g.) is added to 3.8 g. of sodium borohydride in 100 ml. of isopropanol and the mixture is heated at reflux for four hours. Dilute hydrochloric acid (100 ml.) is added and the mixture is evaporated to dryness. The residue is dissolved in a small volume of water and the aqueous solution is made basic with 5% aqueous sodium bicarbonate solution, then evaporated to dryness. The residue is extracted with ether and the ether is removed from the extract in vacuo to give alpha-(4-thiazolyl)-ethanol.
	With hydrogenchloride; sodium borohydrid; In water; isopropyl alcohol;	EXAMPLE 9 Methyl 4-thiazolyl ketone (12.7 g.) is added to 3.8 g. of sodium borohydride in 100 ml. of isopropanol and the mixture is heated at reflux for four hours. Dilute hydrochloric acid (100 ml.) is added and the mixture is evaporated to dryness. The residue is dissolved in a small volume of water and the aqueous solution is made basic with 5% aqueous sodium bicarbonate solution, then evaporated to dryness. The residue is extracted with ether and the ether is removed from the extract in vacuo to give alpha-(4-thiazolyl)ethanol.

Reference： [1]Patent: US3956325,1976,A
[2]Patent: US3932641,1976,A
[3]Patent: US3931162,1976,A

48
[ 3973-08-8 ]
[ 917-54-4 ]
[ 38205-66-2 ]

Reference： [1]Organic Letters,2011,vol. 13,p. 5358 - 5361

49
[ 38205-66-2 ]
C₁₃H₁₈N₂O₄ [ No CAS ]
C₁₈H₂₁N₃O₄S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
63.12%	With hydrogenchloride; In ethanol; water; at 20℃; for 12h;	To a 25 mL single-necked round bottom flask was added 1.10 mmol of Compound b, dissolved in 15 mL of ethanol,1.00 mmol a, the final reaction was added dropwise two drops of 2 mol / liter of hydrochloric acid, stirred for 12 hours at room temperature, the reaction was complete and the solvent was removed under reduced pressure, the residue was purified by silica gel column chromatography 200 ~ 300 compound CL05-00 The eluent was petroleum ether: ethyl acetate 60 ~ 90 C, volume ratio 4: 1, yield 63.12%.

Reference： [1]Patent: CN107226812,2017,A .Location in patent: Paragraph 0041; 0042; 0043

50
[ 38205-66-2 ]
[ 564-20-5 ]
C₂₁H₃₁NO₃S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	With n-butyllithium; diisopropylamine; In diethyl ether; hexane; at -60℃; for 1.5h;	In a 50 ml round-bottomed flask, 8 ml of anhydrous diethyl ether and 0.311 ml (2.2 mmol) of diisopropylamine were added, the solution was cooled to -60C, and then 2.5 N of n-hexane solution of BuLi (2.2 mmol) was added dropwise to the upper reaction system.The reaction system was warmed to 0C and stirred for 15 minutes. Then, drosalactone (500 mg, 2.0 mmol) was added dropwise at -60C.The ether solution was stirred for a further 40 min and then a solution of <strong>[38205-66-2]4-acetylthiazole</strong> (254.3.4 mg, 2.0 mmol) in diethyl ether was added dropwise to the upper reaction system.The reaction system was stirred at this temperature for 50 min. The reaction was quenched with water. The organic layer was separated, washed with saturated sodium chloride, dried over anhydrous sodium sulfate, filtered, and the solvent was distilled off under reduced pressure. The residue was separated by silica gel column chromatography to give CYL-2- QX-3C, yield 55.0%.

Reference： [1]Patent: CN105061418,2017,B .Location in patent: Paragraph 0046; 0047; 0048

51
[ 38205-66-2 ]
[ 358-23-6 ]
[ 900530-70-3 ]

Reference： [1]Angewandte Chemie - International Edition,2018,vol. 57,p. 6926 - 6929
Angew. Chem.,2018,vol. 130,p. 7042 - 7045,4

52
[ 38205-66-2 ]
α-(4-thiazolyl)-propionitrile [ No CAS ]

Reference： [1]Patent: US3931162,1976,A

53
[ 38205-66-2 ]
2-(4-thiazolyl)thiopropanamide [ No CAS ]

Reference： [1]Patent: US3931162,1976,A

54
[ 38205-66-2 ]
N-morpholinomethyl-2-(4-thiazolyl)-thiopropanamide [ No CAS ]

Reference： [1]Patent: US3931162,1976,A

55
[ 38205-66-2 ]
[ 3364-77-0 ]

Reference： [1]Patent: US3931162,1976,A

56
[ 38205-66-2 ]
2-isopropyl-3-(4-(1-(6-methylpyridin-3-yl)-4-(thiazol-4-yl)-1H-imidazol-2-yl)phenyl)-3H-imidazo[4,5-b]pyridine [ No CAS ]

Reference： [1]Patent: WO2008/4117,2008,A1

57
[ 38205-66-2 ]
(S)-tert-butyl 3-((4-(2-((5-amino-2-methylnaphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate [ No CAS ]
(S)-tert-butyl 3-((4-(2-((5-(((2,5-dimethylthiazol-4-yl)methyl)amino)-2-methylnaphthalen-1-yl)oxy)pyridin-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With sodium tris(acetoxy)borohydride; acetic acid; In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran; for 104h;	Prepared using (S)-tert-butyl 3 -((4-(2-((5-amino-2-methylnaphthalen- 1- yl)oxy)pyridin-3 -yl)pyrimidin-2-yl)amino)piperidine- 1 -carboxylate (100 mg, 0.19 mmol), 1- thiazol-4-ylethanone (241 mg, 1.90 mmol), DCM (1 mL), acetic acid (0.016 mL, 0.28 mmol), and sodium triacetoxyborohydride (60 mg, 0.28 mmol). After 72 h, a further portion of sodium triacetoxyborohydride (60 mg, 0.28 mmol) was added. After 16 h, a further portion of sodium triacetoxyborohydride (60 mg, 0.28 mmol) and acetic acid (0.016 mL, 0.28 mmol) was added. After another 16 h, the mixture was diluted with water, followed by EtOAc. The phases were separated, and the organic phase was washed with saturated aqueous ammonium chloride solution, dried (MgSO4), filtered, and concentrated in vacuo. The crude was purified by flash chromatography through silica gel (0-100% EtOAc/DCM) to provide 101 mg (83% yield) of the title compound as a pale brown oil. LCMS (ESI) [M+H] = 638.3, rt = 1.98 mm.

Reference： [1]Patent: WO2018/166528,2018,A1 .Location in patent: Paragraph 1054; 1055

58
[ 38205-66-2 ]
diphenyliodonium tetrafluoroborate [ No CAS ]
4-acetyl-2,5-diphenylthiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	With palladium diacetate; sodium carbonate; XPhos; In N,N-dimethyl-formamide; at 140℃; for 24h;Sealed tube;	which comprises sequentially iodine salt of di(phenyl)tetrafluoroborate,<strong>[38205-66-2]4-acetylthiazole</strong>, palladium acetate,2-dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl and sodium carbonate,Dimethylformamide is mixed evenly,The reaction was sealed at 140 C for 24 hours.Wherein: the molar ratio of <strong>[38205-66-2]4-acetylthiazole</strong> to bis(phenyl)tetrafluoroborate iodide is 1:1.3; <strong>[38205-66-2]4-acetylthiazole</strong> andThe molar ratio of palladium acetate is 10:3; the molar ratio of <strong>[38205-66-2]4-acetylthiazole</strong> to sodium carbonate is 1:2; <strong>[38205-66-2]4-acetylthiazole</strong> and 2-dicyclohexylThe molar ratio of phosphino-2',4',6'-triisopropylbiphenyl is 3:1.The reaction process was followed by thin layer chromatography as described in Example 1; the reaction solution was as described in Example 1.The method was subjected to extraction, drying, concentration and column chromatography to obtain 4-acetyl-2,5-diphenylthiazole in a yield of 73%.

Reference： [1]Patent: CN109705012,2019,A .Location in patent: Paragraph 0036; 0037; 0038

59
[ 38205-66-2 ]
[ 886370-42-9 ]
(S)-4,4,4-trifluoro-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-1-(thiazol-4-yl)butan-1-one [ No CAS ]
4,4,4-trifluoro-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-1-(thiazol-4-yl)butan-1-one [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2020,vol. 59,p. 5359 - 5364
Angew. Chem.,2020,vol. 132,p. 5397 - 5402,6

60
[ 38205-66-2 ]
[ 886370-42-9 ]
4,4,4-trifluoro-3-hydroxy-3-(6-methoxynaphthalen-2-yl)-1-(thiazol-4-yl)butan-1-one [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2020,vol. 59,p. 5359 - 5364
Angew. Chem.,2020,vol. 132,p. 5397 - 5402,6

61
[ 38205-66-2 ]
[ 108-24-7 ]
C₇H₈N₂OS [ No CAS ]

Reference： [1]Chemistry - A European Journal,2020,vol. 26,p. 5515 - 5521

62
[ 38205-66-2 ]
tetraisopropyl (2-acetamido-2-(thiazol-4-yl)ethene-1,1-diyl)bis(phosphonate) [ No CAS ]

Reference： [1]Chemistry - A European Journal,2020,vol. 26,p. 5515 - 5521

63
[ 38205-66-2 ]
C₁₇H₁₇BrN₆OS₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

64
[ 38205-66-2 ]
C₂₃H₂₁ClN₆OS₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

65
[ 38205-66-2 ]
C₁₈H₁₇BrN₆OS₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

66
[ 38205-66-2 ]
C₁₃H₉N₅OS₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

67
[ 38205-66-2 ]
C₁₃H₈BrN₅OS₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

68
[ 38205-66-2 ]
C₁₃H₇BrClN₅S₂ [ No CAS ]

Reference： [1]Patent: WO2020/132071,2020,A1

69
[ 38205-66-2 ]
[ 105-56-6 ]
C₁₀H₁₀N₂O₂S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
56.6%	With morpholine; sulfur; In ethanol; for 48h;Reflux;	(0872) [00500] Step A: To a stirred solution of <strong>[38205-66-2]4-acetylthiazole</strong> 18 (10 g, 78.6 mmol) in dry ethanol (100 mL) was added ethyl 2-cyanoacetate 19 (13.32 g, 118 mmol), sulfur (3.77 g, 1 18 mmol) and morpholine (10.3 g, 118 mmol) at r.t. Then reaction mixture was refluxed for 48 h, evaporated under reduced pressure and purified by column chromatography on silica gel (eluent - EtOAc:Hex - 1 :2) to give compound 20 as yellow crystalline solid (11.2 g, 56.6% yield).

Reference： [1]Patent: WO2020/132071,2020,A1 .Location in patent: Paragraph 00500

70
[ 38205-66-2 ]
[ 69739-34-0 ]
4-(1-(tert-butyldimethylsilyloxy)vinyl)thiazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With triethylamine; In dichloromethane; at 0 - 20℃;	[00241] tert-Butyldimethylsilyl trifluoromethanesulfonate (TBS-OTf, 15 mL, 56.3 mmol) was added dropwise to a solution of compound 158-1 (5.5 g, 43.3 mmol) and TEA (6.6 g, 65 mmol) in DCM (100 mL) at 0C. The reaction mixture was stirred overnight at room temperature, then washed with water (50 mL×1) and brine (50 mL×1), dried over anhydrous Na2SO4 and concentrated to dryness. The residue was purified by silica gel chromatography (EtOAc/Hexane =1:30) and afforded compound 158-2 (6.8 g, 65% yield) as an oil.

Reference： [1]Patent: WO2020/214740,2020,A1 .Location in patent: Paragraph 00239; 00240; 00241

71
[ 936371-70-9 ]
[ 75-16-1 ]
[ 38205-66-2 ]

Yield	Reaction Conditions	Operation in experiment
69%	In tetrahydrofuran; at -10 - 10℃; for 3h;Inert atmosphere;	[00239] A solution of compound N-methoxy-N-methylthiazole-4-carboxamide (110.0 g, 0.643 mol) in THF (1 L) was stirred and cooled to -10C under N2, MeMgBr (1M) was added dropwise at 0~10C over 1 h. The mixture was stirred for 2 h at this temperature, and then quenched with saturated NH4Cl aqueous (500 mL). The mixture was warmed to room temperature, then extracted with EtOAc (1 L×3). The combined organic phases were washed with brine (500 mL×2), dried, concentrated to dryness. The residue was purified by distillation under reduced pressure to afford compound 158-1 (12.1 g, 69% yield) as an oil.

Reference： [1]Patent: WO2020/214740,2020,A1 .Location in patent: Paragraph 00238; 00239

72
[ 38205-66-2 ]
[ 628-71-7 ]
C₁₂H₁₇NOS [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2021,vol. 60,p. 2160 - 2164
Angew. Chem.,2021,vol. 133,p. 2188 - 2192,5

73
[ 38205-66-2 ]
4-(non-1-en-3-yn-2-yl)thiazole [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2021,vol. 60,p. 2160 - 2164
Angew. Chem.,2021,vol. 133,p. 2188 - 2192,5

74
[ 38205-66-2 ]
ethyl 6-((4-cyanophenyl)ethynyl)-2,2-dimethyl-4-(thiazol-4-yl)undeca-4,5-dienoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2021,vol. 60,p. 2160 - 2164
Angew. Chem.,2021,vol. 133,p. 2188 - 2192,5

75
[ 38205-66-2 ]
ethyl (S)-6-((4-cyanophenyl)ethynyl)-2,2-dimethyl-4-(thiazol-4-yl)undeca-4,5-dienoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2021,vol. 60,p. 2160 - 2164
Angew. Chem.,2021,vol. 133,p. 2188 - 2192,5

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Ghs Precautionary Statements

Precautionary Statements-General
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P270	Do not eat, drink or smoke when using this product.
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P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
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P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
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P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
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P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
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P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
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P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

Purity	Size	Price	VIP Price	USA Stock *0-1 Day	Global Stock *5-7 Days	Quantity
{[ item.p_purity ]}	{[ item.pr_size ]}	{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]}	{[ getRatePrice(item.pr_usd, 1,1) ]}	Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]}	{[ item.pr_usastock ]}	Inquiry -	{[ item.pr_chinastock ]}	Inquiry -

Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
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. 38205-66-2 ] {[proInfo.proName]}

Quality Control of [ 38205-66-2 ]

Related Doc. of [ 38205-66-2 ]

Product Details of [ 38205-66-2 ]

Calculated chemistry of [ 38205-66-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 38205-66-2 ]

Application In Synthesis of [ 38205-66-2 ]

[ 38205-66-2 ] Synthesis Path-Upstream 1~6

[ 38205-66-2 ] Synthesis Path-Downstream 1~75

Related Functional Groups of [ 38205-66-2 ]

Ketones

Related Parent Nucleus of [ 38205-66-2 ]

Thiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 38205-66-2 ]

Related Parent Nucleus of
[ 38205-66-2 ]