[ CAS No. 50382-32-6 ] {[proInfo.proName]}

Name: 50382-32-6|(2,4-Dimethylthiazol-5-yl)methanol|98%
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Product Details of [ 50382-32-6 ]

CAS No. :	50382-32-6	MDL No. :	MFCD03086098
Formula :	C₆H₉NOS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BRQKYVQSAUQHNC-UHFFFAOYSA-N
M.W :	143.21	Pubchem ID :	2776250
Synonyms :

Calculated chemistry of [ 50382-32-6 ]

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.5
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	38.17
TPSA :	61.36 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) :	-6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.79
Log Po/w (XLOGP3) :	0.9
Log Po/w (WLOGP) :	1.1
Log Po/w (MLOGP) :	-0.09
Log Po/w (SILICOS-IT) :	2.75
Consensus Log Po/w :	1.29

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 :	3.28 mg/ml ; 0.0229 mol/l
Class :	Very soluble
Log S (Ali) :	-1.77
Solubility :	2.41 mg/ml ; 0.0168 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.87
Solubility :	1.91 mg/ml ; 0.0134 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.38

Safety of [ 50382-32-6 ]

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 [ 50382-32-6 ]

* 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.

Upstream synthesis route of [ 50382-32-6 ]
Downstream synthetic route of [ 50382-32-6 ]

[ 50382-32-6 ] Synthesis Path-Upstream 1~4

1
[ 7210-77-7 ]
[ 50382-32-6 ]

Yield	Reaction Conditions	Operation in experiment
77%	With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 1 h;	Ethyl (2,4-dimethylthiazol-5-yl) formate (500 mg, 2.70 mmol) was dissolved in anhydrous tetrahydrofuran (10 mL), and lithium aluminum hydride (205 mg, 5.40 mmol) was added at 0 °C to react for 1 hour. The reaction was quenched by addition of water (10mL), and the reaction solution was extracted with ethyl acetate (15 mL x 3), dried over anhydrous sodium sulfate, concentrated under reduced pressure, and purified by preparative TLC plate (1:1 petroleum ether / ethyl acetate, R_f = 0.4) to give (2,4-dimethylthiazol-5-yl)methanol (300 mg, as a yellow solid) with a yield of 77percent. ¹H NMR: (400 MHz, Methanol-d₄) δ 4.68(s, 2H), 2.64(s, 3H), 2.33(s, 3H).

Reference： [1] Patent: EP3299371, 2018, A1, . Location in patent: Paragraph 0252; 0253; 0254
[2] Journal of Medicinal Chemistry, 1973, vol. 16, p. 978 - 984
[3] Patent: EP1186604, 2002, A1, . Location in patent: Page 131-132

2
[ 7210-77-7 ]
[ 304-59-6 ]
[ 50382-32-6 ]

Reference： [1] Patent: US2002/161237, 2002, A1,

3
[ 7210-77-7 ]
[ 50382-32-6 ]

Yield	Reaction Conditions	Operation in experiment
95%	With hydrogenchloride In methanol; diethyl ether; dichloromethane	Step 1: 2,4-dimethylthiazole-5-methanol A 3-neck 100 mL round-bottom flask under N₂ atmosphere was charged with ethyl-2,4-dimethylthiazole-5-carboxylate (1.85 g, 10 mmol) in anhydrous CH₂Cl₂ (20 mL). The mixture was cooled to -78° C. 22 mL of di-isobutylaluminum hydride (1.0 M in CH₂Cl₂) was added dropwise via syringe. The reaction was allowed to warm to room temperature slowly and stirred for 14 h. TLC (1:1 Hexane/EtOAc) showed no starting material. The reaction was cooled to 0° C. MeOH(2 mL) and then 1 M HCl (10 mL) were slowly added. The bath was removed and the reaction stirred for 20 min. Extract with Et₂O (3*10 mL). Wash the combined organic layers with brine (10 mL). Dry over MgSO₄, filter and remove solvent under vacuum. Yield: 1.363 g (95percent), orange oil. ¹H NMR (δ, CDCl₃): 2.65(3H), 2.36 (3H), 2.05 (1H), 1.7 (2H).

Reference： [1] Patent: US6204293, 2001, B1,

4
[ 28599-52-2 ]
[ 50382-32-6 ]

Reference： [1] Zhurnal Obshchei Khimii, 1956, vol. 26, p. 66; engl. Ausg. S. 65

[ 50382-32-6 ] Synthesis Path-Downstream 1~29

1
[ 28599-52-2 ]
[ 50382-32-6 ]

Reference： [1]Zhurnal Obshchei Khimii,1956,vol. 26,p. 66; engl. Ausg. S. 65

2
[ 50382-32-6 ]
5-bromomethyl-2,4-dimethyl-thiazole [ No CAS ]

Reference： [1]Zhurnal Obshchei Khimii,1957,vol. 27,p. 726,728; engl. Ausg. S. 799, 801

3
[ 50382-32-6 ]
[ 98134-35-1 ]

Yield	Reaction Conditions	Operation in experiment
75%	With thionyl chloride; In dichloromethane; at 0 - 20℃; for 1h;	To a stirred solution of <strong>[50382-32-6](2,4-dimethylthiazol-5-yl)methanol</strong> (2, 0.3 g, 2.09 mmol) in DCM (5 mL), was added SOCl2(0.3 mL, 4.19 mmol) drop wise at 0 C and the reaction mixture was stirred at rt for 1 h. The reaction mixture was evaporated under vacuum and dried to afford the product as brown oil. (0.25 g, 75% Yield) (3). ^NMR (400 MHz, DMSO-d6) delta (ppm): 4.99 (s, 2H), 2.59 (s, 3H), 2.30 (s, 3H).
54%	With methanesulfonyl chloride; triethylamine; In dichloromethane; at 0 - 25℃; for 2h;	2,4-Dimethylthiazol-5-yl)methanol (300 mg, 2.09 mmol) and triethylamine (635 mg, 6.29 mmol) were dissolved in anhydrous dichloromethane (10 mL). Methanesulfonyl chloride (468 mg, 4.18 mmol) was added at 0C. The reaction solution was slowly warmed to 25C and stirred for 2 hours. The reaction was quenched by the addition of saturated aqueous sodium bicarbonate solution (10 mL) and extracted with dichloromethane (15 mL x 3). The combined organic phases were combined, washed with saturated sodium chloride (30 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to give 5-(chloromethyl)-2,4-dimethylthiazole (182 mg, as a yellow solid) with a yield of 54%. 1H NMR: (400 MHz, Methanol-d4) delta 4.86(s, 2H), 2.65(s, 3H), 2.73(s, 3H).

Reference： [1]Patent: WO2019/77631,2019,A1 .Location in patent: Paragraph 000133; 000343
[2]Patent: EP3299371,2018,A1 .Location in patent: Paragraph 0252; 0255; 0256
[3]Zhurnal Obshchei Khimii,1956,vol. 26,p. 3445,3448; engl. Ausg. S. 3835, 3837

4
[ 50382-32-6 ]
[ 143-33-9 ]
[ 50382-35-9 ]

Reference： [1]Journal of Medicinal Chemistry,1973,vol. 16,p. 978 - 984

5
[ 7210-77-7 ]
[ 50382-32-6 ]

Yield	Reaction Conditions	Operation in experiment
79%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20℃; for 1h;	To the stirred solution of ethyl 2,4-dimethylthiazole-5-carboxylate (1, 0.5 g, 2.70 mmol) in THF (10 mL), was added 1M LAH in THF (4 mL, 4.05 mmol) drop wise at 0 C and stirred at rt for 1 h. The reaction mixture was quenched with saturated NH4CI solution, filtered through celite and extracted with EtOAc (2 X 25 mL). Organic layer was washed with brine (5mL) solution, dried over anhydrous Na2S04 and evaporate. The crude was purified by gradient column chromatography using 50-60% EtOAc in Hexane to afford the product as colourless oil. (0.3 g, 79% Yield). MS (ESI): Mass calcd. for C6H9NOS, 143.04; m/z found 144.1 (M+H)+.
77%	With lithium aluminium tetrahydride; In tetrahydrofuran; at 0℃; for 1h;	Ethyl (2,4-dimethylthiazol-5-yl) formate (500 mg, 2.70 mmol) was dissolved in anhydrous tetrahydrofuran (10 mL), and lithium aluminum hydride (205 mg, 5.40 mmol) was added at 0 C to react for 1 hour. The reaction was quenched by addition of water (10mL), and the reaction solution was extracted with ethyl acetate (15 mL x 3), dried over anhydrous sodium sulfate, concentrated under reduced pressure, and purified by preparative TLC plate (1:1 petroleum ether / ethyl acetate, Rf = 0.4) to give (2,4-dimethylthiazol-5-yl)methanol (300 mg, as a yellow solid) with a yield of 77%. 1H NMR: (400 MHz, Methanol-d4) delta 4.68(s, 2H), 2.64(s, 3H), 2.33(s, 3H).

Reference： [1]Patent: WO2019/77631,2019,A1 .Location in patent: Paragraph 000133; 000342
[2]Patent: EP3299371,2018,A1 .Location in patent: Paragraph 0252; 0253; 0254
[3]Journal of Medicinal Chemistry,1973,vol. 16,p. 978 - 984
[4]Patent: EP1186604,2002,A1 .Location in patent: Page 131-132

6
[ 50382-32-6 ]
[ 99977-11-4 ]

Reference： [1]Zhurnal Obshchei Khimii,1956,vol. 26,p. 3445,3448; engl. Ausg. S. 3835, 3837

7
[ 50382-32-6 ]
[ 99548-91-1 ]

Reference： [1]Zhurnal Obshchei Khimii,1956,vol. 26,p. 3445,3448; engl. Ausg. S. 3835, 3837

8
[ 50382-32-6 ]
[ 95453-54-6 ]

Reference： [1]Patent: EP1186604,2002,A1 .Location in patent: Page 132

9
[ 7210-77-7 ]
[ 304-59-6 ]
[ 50382-32-6 ]

Yield	Reaction Conditions	Operation in experiment
91%	In diethyl ether; ethyl acetate;	Example 21 Preparation of 2,4-dimethylthiazole-5-methanol To a suspension of lithium aluminum hydride (563 mg, 14.8 mmol) in diethyl ether (25 mL) at 0 C. was added ethyl-2,4-dimethylthiazole-5-carboxylate (2.5 g, 13.5 mmol) in three portions. The reaction mixture was allowed to stir at 0 C. for 10 min, then at room temperature for 24 h. Ethyl acetate (65 mL) was added very slowly dropwise at 0 C. The reaction mixture was then added slowly to an aqueous solution of potassium sodium tartrate (30% w/v; 20 mL) and stirred for 2 h. The layers were separated and the aqueous layer was re-extracted with ethyl acetate (1*30 mL). The combined organic layers were dried (MgSO4), filtered, evaporated under reduced pressure. The resulting colorless solid was dried under high vacuum to give 2,4-dimethylthiazole-5-methanol (1.7 g, 91% yield). This material was used in a subsequent step without further purification.

Reference： [1]Patent: US2002/161237,2002,A1

10
[ 7210-77-7 ]
diisobutylaluminum hydride [ No CAS ]
[ 50382-32-6 ]

Yield	Reaction Conditions	Operation in experiment
1.363 g (95%)	With hydrogenchloride; In methanol; diethyl ether; dichloromethane;	Step 1: 2,4-dimethylthiazole-5-methanol A 3-neck 100 mL round-bottom flask under N2 atmosphere was charged with ethyl-2,4-dimethylthiazole-5-carboxylate (1.85 g, 10 mmol) in anhydrous CH2Cl2 (20 mL). The mixture was cooled to -78 C. 22 mL of di-isobutylaluminum hydride (1.0 M in CH2Cl2) was added dropwise via syringe. The reaction was allowed to warm to room temperature slowly and stirred for 14 h. TLC (1:1 Hexane/EtOAc) showed no starting material. The reaction was cooled to 0 C. MeOH(2 mL) and then 1 M HCl (10 mL) were slowly added. The bath was removed and the reaction stirred for 20 min. Extract with Et2O (3*10 mL). Wash the combined organic layers with brine (10 mL). Dry over MgSO4, filter and remove solvent under vacuum. Yield: 1.363 g (95%), orange oil. 1H NMR (delta, CDCl3): 2.65(3H), 2.36 (3H), 2.05 (1H), 1.7 (2H).

Reference： [1]Patent: US6204293,2001,B1

11
[ 50382-32-6 ]
[ 79-37-8 ]
[ 95453-54-6 ]

Yield	Reaction Conditions	Operation in experiment
1.04 g (89%)	In dichloromethane;	Step 2: 2,4-dimethylthiazole-5-carbaldehyde A 3-neck 100 mL round-bottom flask was charged with anhydrous CH2Cl2 (20 mL) and oxalyl chloride (1.0 mL, 11.25 mmol) under N2 atmosphere. The mixture was cooled to -78 C. Anhydrous DMS O (1.1 mL, 15 mmol) was slowly added. The reaction was allowed to stir for 30 min. <strong>[50382-32-6]2,4-dimethylthiazole-5-methanol</strong> (1.181 g, 7.5 mmol) in CH2Cl2 (5 mL) was slowly added. The reaction was allowed to stir for about 3 h, until TLC (1:1 EtOAc/Hexane) showed no starting material. The reaction was quenched with triethylamine (4.3 mL, 30 mmol) and stirred for 10 min. before warming to room temperature. The reaction was poured into Et2O (100 mL) and then extracted with water (2*25 mL). The organic phase was washed with NaHCO3(aq) (25 mL) and brine (25 mL). Dry over MgSO4 and concentrated under vacuum. The product was stored in the freezer. Yield: 1.04 g (89%) orange crystalline solid. 1H NMR (delta, CDCl3): 10.0 (1H), 2.72 (d, 6H).

Reference： [1]Patent: US6204293,2001,B1

12
[ 50382-32-6 ]
[ 1126779-13-2 ]
[ 1126773-62-3 ]

Yield	Reaction Conditions	Operation in experiment
	With di-tert-butyl-diazodicarboxylate; PS-triphenylphosphine; In tetrahydrofuran; at 20℃; for 18h;	Example 133; 2-chloro-4-{1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}benzonitrile A resin reagent (PS-triphenylphosphine) (about 130 mg) was charged in a polypropylene tube equipped with a filter ?cap, and preconditioned therein. Then, a solution (0.42 mol/L, 0.357 mL) of <strong>[50382-32-6](2,4-dimethyl-1,3-thiazol-5-yl)methanol</strong> in THF and a solution (0.28 mol/L, 0.357 mL) of 2-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)benzonitrile synthesized in Reference Example 4 in THF were added and the mixture was stirred. di-tert-Butyl azodicarboxylate (about 60 mg) was added and the mixture was stirred at room temperature for 18 hr. The resin reagent was removed by filtering and washing the reaction mixture. The filtrate was concentrated. The residue was purified by reversed-phase preparative HPLC (Gilson, UniPoint system, YMC ODS column 30×75 mm, 0.1% TFA containing acetonitrile-water (5:95-100:0)) to give the title compound (26.3 mg).MS (ESI+, m/e) 357 (M+1)

Reference： [1]Patent: US2009/270359,2009,A1 .Location in patent: Page/Page column 75

13
[ 50382-32-6 ]
[ 1373551-53-1 ]
[ 1373551-59-7 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 3960 - 3974

14
[ 50382-32-6 ]
[ 1373551-53-1 ]
[ 1373551-60-0 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 3960 - 3974

15
[ 50382-32-6 ]
C₂₉H₃₃ClN₂O₃S [ No CAS ]

Reference： [1]Patent: EP1186604,2002,A1

16
[ 50382-32-6 ]
methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(2,4-dimethyl-1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylate [ No CAS ]

Reference： [1]Patent: EP1186604,2002,A1

17
[ 50382-32-6 ]
7-[4-(2-butoxyethoxy)phenyl]-1-(2,4-dimethyl-1,3-thiazol-5-ylmethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid [ No CAS ]

Reference： [1]Patent: EP1186604,2002,A1

18
[ 50382-32-6 ]
7-[4-(2-butoxyethoxy)phenyl]-1-(2,4-dimethyl-1,3-thiazol-5-ylmethyl)-N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide [ No CAS ]

Reference： [1]Patent: EP1186604,2002,A1

19
[ 50382-32-6 ]
(S)-ethyl 2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-hydroxyphenyl)-2,6-dimethylpyridin-3-yl)acetate [ No CAS ]
(S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-((2,4-dimethylthiazol-5-yl)methoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
58.6%		Example 44 To a stirred solution of (S)-ethyl 2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-hydroxyphenyl)-2,6-dimethylpyridin-3-yl)acetate (25 mg, 0.053 mmol), <strong>[50382-32-6](2,4-dimethylthiazol-5-yl)methanol</strong> (22.92 mg, 0.160 mmol) and Ph3P-resin (69.7 mg, 0.267 mmol) in THF (2 mL) was added DEAD (0.025 mL, 0.160 mmol) at rt. After 18 h, mixture was filtered to remove polymer, concentrated and treated with 1N NaOH (1.067 mL, 1.067 mmol) in MeOH (1 mL) at 75 C. for 16 h. Mixture was then cooled and purified by prep-HPLC to afford (S)-2-(tert-butoxy)-2-(4-(4,4-dimethylpiperidin-1-yl)-5-(4-((2,4-dimethylthiazol-5-yl)methoxy)phenyl)-2,6-dimethylpyridin-3-yl)acetic acid (17.7 mg, 0.031 mmol, 58.6% yield). 1H NMR (500 MHz, DMSO-d6) delta 7.29-7.21 (m, 1H), 7.14-7.01 (m, 3H), 5.84 (s, 1H), 5.36-5.15 (m, 2H), 3.27 (d, J=7.7 Hz, 1H), 2.79 (t, J=11.9 Hz, 1H), 2.58 (s, 3H), 2.44 (s, 3H), 2.34 (s, 3H), 2.18 (d, J=12.5 Hz, 1H), 2.06 (s, 3H), 1.96-1.87 (m, 1H), 1.49 (br. s., 1H), 1.36-1.25 (m, 1H), 1.18 (d, J=12.8 Hz, 1H), 1.13 (s, 9H), 1.01 (d, J=11.7 Hz, 1H), 0.85 (br. s., 3H), 0.59 (br. s., 3H). LCMS (M+H)=566.6.

Reference： [1]Patent: US2015/232463,2015,A1 .Location in patent: Paragraph 0281; 0282

20
[ 50382-32-6 ]
3-[5-(difluoromethyl )-1,3,4-thiadiazol-2-yl]-N-(1-methyl cyclopropyl)-2-oxo-1H-benzimidazole-5-sulfonamide [ No CAS ]
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-[(2,4-dimethylthiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2-oxo-benzimidazole-5-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; In N,N-dimethyl-formamide; at 80℃; for 2h;	2-Oxo-1 H-benzimidazole intermediate(Intermediates S4-C1, S4-C2, S4-C3)(1 eq), diisopropyl azodicarboxylate(2 eq), alkyl alcohol (2 eq), PS-PPh3 (2 eq) in DMF wereheated at 80 C for 2 h

Reference： [1]Patent: WO2016/97749,2016,A1 .Location in patent: Paragraph 00256; 00555

21
[ 50382-32-6 ]
3-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-(1-methyl cyclopropyl)-2-oxo-1H-benzimidazole-5-sulfonamide [ No CAS ]
1-[(2,4-dimethylthiazol-5-yl)methyl]-3-(3-methoxy-1,2,4-thiadiazol-5-yl)-N-(1-methylcyclopropyl)-2-oxo-benzimidazole-5-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With di-isopropyl azodicarboxylate; In N,N-dimethyl-formamide; at 80℃; for 2h;	2-Oxo-1 H-benzimidazole intermediate(Intermediates S4-C2, S4-C4, S2-C5)(1 eq), diisopropyl azodicarboxylate(3 eq), alkyl alcohol (3 eq), PS-PPh3 (4 eq) in DMF wereheated at 80 C for 2 h.

Reference： [1]Patent: WO2016/97749,2016,A1 .Location in patent: Paragraph 00257; 00555

22
[ 50382-32-6 ]
N-(1-cyanocyclopropyl)-N-[[3-[(2-methylthiazol-5-yl)methyl]-2,4-dioxo-1H-quinazolin-6-yl]sulfonyl]acetamide [ No CAS ]
N-(1-cyanocyclopropyl)-1-[(2,4-dimethylthiazol-5-yl)methyl]-3-[(2-methylthiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
17%		Diisopropyl azodicarboxylate (0.07 mL, 0.330 mmol) was added to a stirring mixture of N-(1 -cyanocyclopropyl)-N-[[3-[(2-methylthiazol-5-yl)methyl]-2,4-dioxo- 1H- quinazolin-6-yl]sulfonyl]acetamide (76 mg, 0.170 mmol), (2,4-dimethyl-1 ,3-thiazol-5- yl)methanol (0.04 mL, 0.33 mmol) and triphenylphosphine, polymer bound ~1 .6mmol/g (310 mg, 0.500 mmol) in DMF (5 mL). After stirring at room temperature for 3 h, concentrated ammonia (500 muIota_) was added and the mixture left to stir for 2h. DCM (10 mL) and saturated aqueous ammonium chloride solution (10 mL) was added and the mixture stirred for 5 min. The DCM layer was isolated by passing through a hydrophobic frit and the aqueous layer extracted with DCM. The combined DCM extracts were concentrated under reduced pressure and purified by prep HPLC (low pH) yielding the desired product (15 mg, 0.028 mmol, 17%) as a white powder

Reference： [1]Patent: WO2016/92326,2016,A1 .Location in patent: Paragraph 005568

23
[ 50382-32-6 ]
tert-butyl 4-(4-(3,5-dichloro-4-hydroxyphenyl)pyridin-2-yl)piperazine-1-carboxylate [ No CAS ]
C₂₆H₃₀Cl₂N₄O₃S [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2017,vol. 60,p. 9790 - 9806

24
[ 50382-32-6 ]
1-((2,4-dimethylthiazol-5-yl)methyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione [ No CAS ]

Reference： [1]Patent: EP3299371,2018,A1

25
[ 50382-32-6 ]
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide [ No CAS ]
3-[(2,4-dimethylthiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792

26
[ 50382-32-6 ]
N-(1-methylcyclopropyl)-3-[(2-methylthiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide [ No CAS ]
1-[(2,4-dimethylthiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methylthiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792

27
[ 50382-32-6 ]
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide [ No CAS ]
1-[(2,4-dimethylthiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792

28
[ 50382-32-6 ]
N-((3-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)sulfonyl)-N-(1-methylcyclopropyl)acetamide [ No CAS ]
C₂₁H₂₄N₄O₅S₂ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 10767 - 10792

29
[ 50382-32-6 ]
[ 165736-07-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: phosphorus tribromide / dichloromethane / 3 h / 20 °C 2.1: phthalimide / acetonitrile / 5 h / 80 °C 2.2: 80 °C

Reference： [1]Dang, Xin; Lei, Shuwen; Luo, Shuhua; Hu, Yixin; Wang, Juntao; Zhang, Dongdong; Lu, Dan; Jiang, Faqin; Fu, Lei [Bioorganic Chemistry, 2021, vol. 114]

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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. 50382-32-6 ] {[proInfo.proName]}

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[ 50382-32-6 ] Synthesis Path-Upstream 1~4

[ 50382-32-6 ] Synthesis Path-Downstream 1~29

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Alcohols

Related Parent Nucleus of [ 50382-32-6 ]

Thiazoles

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[ 50382-32-6 ]

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[ 50382-32-6 ]