[ CAS No. 41731-52-6 ] {[proInfo.proName]}

Name: 41731-52-6|Ethyl 2-chlorothiazole-4-carboxylate|95%
Brand: Ambeed
SKU: A271271
Price: 6.0 USD
Availability: InStock
Rating: 92 (27 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 41731-52-6

Structure of 41731-52-6 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 41731-52-6 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 41731-52-6 ]

SDS Specification

Alternatived Products of [ 41731-52-6 ]

Product Details of [ 41731-52-6 ]

CAS No. :	41731-52-6	MDL No. :	MFCD11045348
Formula :	C₆H₆ClNO₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	GILVNZWYCBUGMT-UHFFFAOYSA-N
M.W :	191.64	Pubchem ID :	13106141
Synonyms :

Calculated chemistry of [ 41731-52-6 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.33
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	43.21
TPSA :	67.43 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) :	-5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.21
Log Po/w (XLOGP3) :	2.47
Log Po/w (WLOGP) :	1.97
Log Po/w (MLOGP) :	0.64
Log Po/w (SILICOS-IT) :	2.86
Consensus Log Po/w :	2.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.72
Solubility :	0.363 mg/ml ; 0.00189 mol/l
Class :	Soluble
Log S (Ali) :	-3.53
Solubility :	0.0565 mg/ml ; 0.000295 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.39
Solubility :	0.774 mg/ml ; 0.00404 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.73

Safety of [ 41731-52-6 ]

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

Application In Synthesis of [ 41731-52-6 ]

* 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 [ 41731-52-6 ]
Downstream synthetic route of [ 41731-52-6 ]

[ 41731-52-6 ] Synthesis Path-Upstream 1~6

1
[ 41731-52-6 ]
[ 5198-87-8 ]

Yield	Reaction Conditions	Operation in experiment
56%	Stage #1: With water; potassium hydroxide In ethanol at 0 - 20℃; Stage #2: With hydrogenchloride In water at 20℃; for 72 h;	14.0 g (73.1 mmol) of 2-chlorothiazole-4-carboxylic acid ethyl ester were slowly added to a solution of 1 1.0 g (0.17 mol, 85percent purity) of potassium hydroxide in ethanol/water (1 :3, 200 ml) at 0 ⁰C. The reaction mixture was stirred at room temperature for 16 h, diluted with water and washed twice with diethyl ether. The aqueous layer was acidified (pH = 5.5) with cone. HCI and stirred at room temperature for three days. The formed precipitate was collected by filtration and dried at 40 ⁰C under vaccum to yield 7.0 g (56percent, 95percent purity) of the title compound as a brown solid.

Reference： [1] Patent: WO2011/3796, 2011, A1, . Location in patent: Page/Page column 126; 127
[2] Helvetica Chimica Acta, 1944, vol. 27, p. 1432,1433
[3] Patent: US5498630, 1996, A,
[4] Patent: WO2007/146066, 2007, A2, . Location in patent: Page/Page column 152

2
[ 5398-36-7 ]
[ 41731-52-6 ]

Yield	Reaction Conditions	Operation in experiment
74%	With hydrogenchloride; copper(l) chloride; sodium nitrite In water at 20℃; for 2.16667 h; Cooling with salt-ice	The free based 2-amino-thiazole-4-carboxylic acid ethyl ester (306 mg, 1.78 mmol) and CuCl (238 mg, 2.4 mmol) were suspended in conc. HC1 (8 ml) and the mixture cooled on a salt/ice bath. A pre-cooled solution of NaNO2 (166 mg, 2.4 mmol) in water (2ml) was added over a period of 10 min. The mixture was allowed to warm to room temperature over 1 h and was stirred for a further 1 h. Water was added and the aqueous layer extracted with EtOAc (3 x 10 ml). The combined EtOAc layers were washed with brine, dried (Na2SO4), filtered and the solvent removed in vacuo to give the title compound. Yield: 251 mg, 74percent ; LC/MS tr 1.06 min; MS (ES+) m/z 192,194 (M+H) ; 1H NMR (250 MHz, CDC13) 5 1.41 (t, 3H), 4.43 (q, 2H), 8.08 (s, 1H).
40%	With tert.-butylnitrite; copper dichloride In tetrahydrofuran; acetonitrile at 23 - 65℃;	At 23° C., a solution of ethyl 2-aminothlazole-4-formate (1.0 g, 6.35 mmol) in acetonitrile (10 mL) and tetrahydrofuran (10 mL) is added to a solution (10 mL) of t-butyl nitrite (1.3 mL, 9.52 mmol) and cuprous chloride (1.0 g, 7.6 mmol) in acetonitrile (10 mL) and tetrahydrofuran (10 mL). The reaction mixture is required to be heated at 65° C. until complete consumption of the starting materials as shown by thin-layer chromatography (40percent ethyl acetate-hexane). Then, the mixture is cooled to room temperature and partitioned between water and ethyl acetate. The organic layer is concentrated under vacuum and purified by flash silica gel column chromatography eluted with 20percent ethyl acetate-hexane to give ethyl 2-chloro-thiazole-4-formate (compound (2-2)) (0.49 g, 40percent).

Reference： [1] Patent: WO2005/80367, 2005, A1, . Location in patent: Page/Page column 109
[2] Organic Letters, 2013, vol. 15, # 20, p. 5390 - 5393
[3] Patent: US2013/178470, 2013, A1, . Location in patent: Paragraph 0106
[4] Organic and Biomolecular Chemistry, 2012, vol. 10, # 30, p. 5764 - 5768
[5] Helvetica Chimica Acta, 1944, vol. 27, p. 1432,1433
[6] Patent: WO2007/146066, 2007, A2, . Location in patent: Page/Page column 152
[7] Patent: EP2039686, 2009, A1, . Location in patent: Page/Page column 25-26
[8] Patent: WO2005/68432, 2005, A1, . Location in patent: Page/Page column 187-188
[9] Patent: WO2004/58702, 2004, A2, . Location in patent: Page 33; 25
[10] Patent: US2010/87448, 2010, A1, . Location in patent: Page/Page column 17
[11] Patent: WO2011/109799, 2011, A1, . Location in patent: Page/Page column 219-220

3
[ 70-23-5 ]
[ 41731-52-6 ]

Reference： [1] Organic and Biomolecular Chemistry, 2012, vol. 10, # 30, p. 5764 - 5768

4
[ 1001-26-9 ]
[ 41731-52-6 ]

Reference： [1] Patent: US2013/178470, 2013, A1,

5
[ 41731-52-6 ]
[ 57260-71-6 ]
[ 867065-53-0 ]

Reference： [1] Patent: WO2007/14290, 2007, A2, . Location in patent: Page/Page column 91

6
[ 41731-52-6 ]
[ 153027-86-2 ]

Reference： [1] Patent: US5395845, 1995, A,

[ 41731-52-6 ] Synthesis Path-Downstream 1~30

2
[ 41731-52-6 ]
[ 5198-87-8 ]

Yield	Reaction Conditions	Operation in experiment
56%		14.0 g (73.1 mmol) of 2-chlorothiazole-4-carboxylic acid ethyl ester were slowly added to a solution of 1 1.0 g (0.17 mol, 85% purity) of potassium hydroxide in ethanol/water (1 :3, 200 ml) at 0 0C. The reaction mixture was stirred at room temperature for 16 h, diluted with water and washed twice with diethyl ether. The aqueous layer was acidified (pH = 5.5) with cone. HCI and stirred at room temperature for three days. The formed precipitate was collected by filtration and dried at 40 0C under vaccum to yield 7.0 g (56%, 95% purity) of the title compound as a brown solid.
	With sodium hydroxide; In ethanol; water;	c) A mixture of NaOH (1.9 g, 47.5 mmol) and ethyl-2-chloro-4-thiazolecarboxylate (7.6 g, 40 mmol) in 100 mL absolute ethanol was stirred at RT for 4 h. After that, ethanol was removed in vacuo and the residue was dissolved in water. The aq layer was washed with ether and then acidified with conc HCl. The solid was filtered and air dried to give 4 g of 2-chloro-4-thiazolecarboxylic acid.
		The solid (7.64 g, 44.4 mmol) was added portionwise to a 60 C solution of Copper(II) chloride (7.46 g, 55.5 mmol) and t-butyl nitrite (8.2 mL, 66.6 mmol) in acetonitrile (175 mL) while maintaining the reaction temperature between 60 and 65 0C. After complete addition, the reaction mixture was heated to 80 C for 1 h. Upon cooling to rt, the reaction mixture was poured into a mixture Of CHaCl2 (150 mL), water (150 mL), and HCl (cone, 10 mL). The organics were separated and the aqueous layer was extracted with CH2Cl2 (2 x 100 mL). The combined organics were washed with brine (300 mL), dried over Na2SO4, filtered, and concentrated under reduced pressure. The resulting material was dissolved in EtOH (100 mL) and NaOH (2.13 g, 53.3 mmol) was added followed by water (50 mL). After stirring overnight at rt, the ethanol was removed under reduced pressure and the reaction mixture was diluted with water (50 mL). The mixture was washed with Et2O (50 mL, discarded) and brought to pH ~2 with cone. HCl. The resulting solid was collected by filtration, washed with water (3 x) and dried. This gave 4.73 g (63%) of the title compound as a yellow solid. LC-MS: RT = 4.35 min, [M+H]+ = 163.9.

Reference： [1]Patent: WO2011/3796,2011,A1 .Location in patent: Page/Page column 126; 127
[2]Helvetica Chimica Acta,1944,vol. 27,p. 1432,1433
[3]Patent: US5498630,1996,A
[4]Patent: WO2007/146066,2007,A2 .Location in patent: Page/Page column 152

3
[ 41731-52-6 ]
[ 70205-43-5 ]

Reference： [1]Helvetica Chimica Acta,1946,vol. 29,p. 1229

5
[ 41731-52-6 ]
[ 57260-71-6 ]
[ 867065-53-0 ]

Yield	Reaction Conditions	Operation in experiment
	With 1,8-diazabicyclo[5.4.0]undec-7-ene;potassium iodide; In dimethyl sulfoxide; at 80℃; for 16h;	EXAMPLE 30 Preparation of N-methyl-2-[4-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-1-piperazinyl]-N-[(1R)-1,2,3,4-tetrahydro-l-naphthalenyl]-4-thiazolecarboxamide (Compound 220) Step A: Preparation of 1,1-dimethylethyl 4-[4-(ethoxycarbonyl)-2-thiazoIyl]-1-piperazinecarboxylate. 1,1-Dimethylethyl 1-piperazinecarboxylate (1.86 g, 10 mmol), methyl 2-chloro-5-thiazolecarboxylate (1.92 g, 10.0 mmol), diazabicycloundecene (1.5 mL, 10 mmol) and a catalytic amount of potassium iodide (2 mg) were dissolved in 10 mL of dry dimethylsulfoxide and warmed to 80 0C for 16 h. The warm solution was added dropwise with stirring to 200 mL of cold water. The reaction mixture was extracted with diethyl ether.The resulting extract was washed with water and brine, dried over magnesium sulfate and concentrated under reduced pressure to give 3.23 g of a yellow oil which solidified on standing. The solid was recrystallized from diethyl ether/hexanes to give 1.0 g of the title compound as light yellow crystals. This compound was of sufficient purity to use in subsequent reactions.1H NMR (CDCl3) delta 1.37 (t, 3H), 1.48 (s, 9H), 3.53 (s, 8H), 4.38 (q, 2H), 7.47 (s, IH).

Reference： [1]Patent: WO2007/14290,2007,A2 .Location in patent: Page/Page column 91

6
[ 41731-52-6 ]
[ 5198-85-6 ]

Yield	Reaction Conditions	Operation in experiment
63%		Sodium borohydride (690 mg, 18 mmol) was added as a single portion to a solution of <strong>[41731-52-6]ethyl 2-chloro-4-thiazolecarboxylate</strong> (1.6 g, 9 mmol) in ethanol (70 ml) at 0 C., then the mix was allowed to warm to room temperature with stirring overnight. The reaction was acidified to pH 5 with IN HCl and concentrated under vacuum, then the white residue was partitioned between water (125 ml) and ethyl acetate (3*300 ml). The organic phase was washed with brine and dried (Na2SO4), then the solvents were removed. Chromatography of the residue on silica gel (15 g, eluent 15%/-30% hexane/ethyl acetate) gave 2-chloro-4-hydroxymethylthiazole (850 mg, 5.5 mmol) in 63% yield as a clear oil, 1H nmr, 4.72 (s, 2H), 7.11 (s, 1H).
18.88 g	With methanol; sodium tetrahydroborate; at 0 - 20℃; for 2h;	To a 0 C solution of <strong>[41731-52-6]ethyl 2-chlorothiazole-4-carboxylate</strong> (24.95 g, 130.19 mmol) in MeOH (250 mL) was added NaBH4 (17.29 g, 456.97 mmol) in portions. The resulting mixture was allowed to warm to RT and stirred for 2 h. The reaction mixture was diluted with water (200 mL)and the volatiles were removed under reduced pressure. The resulting mixture was extracted withEA (2 x 200 mL), the combined organic layers were washed with brine (1 > 400 mL), dried over anhydrous Na2504, filtered and concentrated under reduced pressure to give(2-chlorothiazol-4-yl)methanol (18.88 g). MS: m/z 150 (M+H).
18.88 g	With methanol; sodium tetrahydroborate; at 0 - 20℃; for 2h;	Ethyl 2-chlorothiazole-4-carboxylate (24.95 g, 130.19 mmol) at 0 CNaBH4 (17.29 g, 456.97 mmol) was added portionwise over MeOH (250 mL). The temperature was naturally raised to RT and stirred for 2 h.The reaction was diluted with water (200 mL) and concentrated under reduced vacuo.The system was extracted with EA (2×200 mL) and the combined organic phases were washed with brine (1×400 mL).Dry over anhydrous Na 2 SO 4 , filtered and concentrated.(2-Chlorothiazol-4-yl)methanol (18.88 g) was obtained.

Reference： [1]Patent: US7078403,2006,B1 .Location in patent: Page/Page column 25
[2]Patent: WO2018/172984,2018,A1 .Location in patent: Page/Page column 73
[3]Patent: CN110143949,2019,A .Location in patent: Paragraph 0351

7
[ 41731-52-6 ]
[ 153027-86-2 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium fluoride; In dimethyl sulfoxide;	STAGE A ethyl 2-fluoro 4-thiazole carboxylate A suspension of 2.1 g of ethyl 2-chloro 4-thiazole carboxylate, 15 ml of dimethylsulfoxide (DMSO) and 2 g of potassium fluoride was heated to 140 C. for 20 hours and the product was chromatographed, eluding with a hexane-ethyl acetate mixture (80-20) to obtain 0.82 g of the desired product melting at 74 C.

Reference： [1]Patent: US5395845,1995,A

8
[ 41731-52-6 ]
[ 153027-97-5 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium borohydrid;methanol;	PREPARATION OF EXAMPLE 50 2-chloro-alpha-ethynyl 4-thiazol methanol. Ethyl 2-chloro 4-thiazol carboxylate was reacted with sodium borohydride in the presence of methanol to obtain the corresponding aidehyde, then with ethynyl magnesium bromide as in example 14 to obtain the expected alcohol.

Reference： [1]Patent: US5395845,1995,A

Yield	Reaction Conditions	Operation in experiment
		b) To a mixture of copper (II) chloride (20 g, 0.15 mol) and 90% t-butyl nitrite (24 mL, 0.18 mol) in 500 mL acetonitrile at 60 C. was added in portions ethyl 2-amino-4-thiazolecarboxylate (21 g, 0.12 mol), maintaining the temperature at between 60-65 C. After the addition, the resulting reaction mixture was heated at 80 C. for 1 h, then cooled to RT and poured into a mixture of water, CH2 Cl2 and 25 mL conc HCl. The aq layer was separated and extracted with CH2 Cl2. The combined organic layers were washed with water, brine, dried and concentrated to give 21.5 g of ethyl 2-chloro-4-thiazolecarboxylate.

10
[ 110-89-4 ]
[ 41731-52-6 ]
ethyl 2-piperidinothiazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In ethyl acetate; benzene;	PREPARATION 81 Ethyl 2-piperidinothiazole-4-carboxylate A mixture comprising 2.1 g of piperidine, 4 g of <strong>[41731-52-6]ethyl 2-chlorothiazole-4-carboxylate</strong>, 4.2 g of triethylamine and 20 ml of benzene was refluxed for 12 hours. The reaction mixture was poured into water and extracted with benzene. The extract was washed with water, dried over anhydrous magnesium sulfate and concentrated under reduced pressure. The residue was then purified by silica gel column chromatography. using as eluent a 10:1 mixture of benzene and ethyl acetate, giving the title compound as a pale yellow oil. Nuclear Magnetic Resonance Spectrum (CDCl3) delta ppm: 1.36 (3H, triplet, J=7 Hz), 1.5-1.9 (6H, multiplet), 3.3-3.7 (4H, multiplet), 4.35 (2H, quartet, J=7 Hz), 7.42 (1H, singlet).

Reference： [1]Patent: US4933355,1990,A

11
[ 110-91-8 ]
[ 41731-52-6 ]
[ 126533-49-1 ]
[ 126533-95-7 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In N-methyl-acetamide;	PREPARATION 78 Ethyl 2-morpholinothiazole-4-carboxylate The reaction described in Preparation 26 was repeated, but using 1.4 g of morpholine, 3 g of <strong>[41731-52-6]ethyl 2-chlorothiazole-4-carboxylate</strong>. 3 g of triethylamine and 12 ml of dimethylformamide, giving the title compound as colorless needles. Melting Point: 84 to 86 C. Nuclear Magnetic Resonance Spectrum (CDCl3) delta ppm: 1.37 (3H, triplet, J=7 Hz). 3.45-3.6 (4H, multiplet), 3.75-3.9 (4H, multiplet), 4.36 (2H, quartet, J=7 Hz). 7.50 (1H, singlet).

Reference： [1]Patent: US4933355,1990,A

12
[ 680-31-9 ]
[ 41731-52-6 ]
[ 100-67-4 ]
ethyl 2-phenoxy-thiazole-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sodium iodide; In N-methyl-acetamide; water; ethyl acetate;	Step A: Ethyl 2-phenoxy-thiazole-4-carboxylate A mixture of 2 g of <strong>[41731-52-6]ethyl 2-chloro-thiazole-4-carboxylate</strong>, 2.5 ml of hexamethyl phosphorotriamide, 50 ml of dimethylformamide and 1.5 g of sodium iodide was heated at 100 C. for one hour and was cooled to 20 C. 1.32 g of potassium phenate were added in portions to the mixture which was then refluxed for 90 minutes and then was cooled. Water and ethyl acetate were added to the mixture and the decanted aqueous phase was extracted with ethyl acetate. The organic phase was washed with water and evaporated to dryness. The residue was chromatographed over silica gel and was eluted with a 7-3-1 hexane-isopropyl ether-triethylamine mixture to obtain 1.08 g of ethyl 2-phenoxy-thiazole-carboxylate melting at 67 C.

Reference： [1]Patent: US4501894,1985,A

13
[ 41731-52-6 ]
[ 58425-32-4 ]
[ 918444-59-4 ]

Yield	Reaction Conditions	Operation in experiment
	In dimethyl sulfoxide; at 85℃; for 16h;	To a solution of 3-tert-butyl phenol (100 mg, 0.65 mmol) in dry THF (5 ml) was added potassium tert-butoxide (75 mg, 0.65 mmol) and the mixture was heated to reflux for 1 h. Upon cooling, the volatiles were removed in vacuo before the residue was taken up into dimethylsulf oxide (DMSO; 20 ml). Ethyl 2-chiorothiazole-4-carboxylate (prepared according to the procedure of T. R. Kelly and F. Lang, J. Org. Chem., 1996, 61 , 4623-4633; however in our EPO <DP n="48"/>hands the material produced by this synthesis was a 2:1 mixture of the 2- chloro- and 5-chloro-thiazole-4-carboxylates; 130 mg, 0.67 mmol) was then added before the mixture was heated to 85 G for 16 h. Upon cooling the reaction mixture was partitioned between ethyl acetate (25 ml) and water (25 ml) and after rigorous shaking the aqueous later was separated and extracted further with ethyl acetate (3 x 25 ml). The combined organic phase was washed with brine (50 ml) and dried (MgSO4) before being concentrated in vacuo. The crude product was then purified by column chromatography (SiO2; 49:1 light petroleum-ethyl acetate to 19:1) to afford the title compound as a pale yellow oil (100 mg, 50 %). 1H NMR delta 8.20 (1 H, s), 7.20-7.27 (3 H, m), 7.01-7.05 (1 H, m), 4.31 (2 H, q), 1.31 (3 H, t) and 1.26 (9 H, s).

Reference： [1]Patent: WO2007/582,2007,A1 .Location in patent: Page/Page column 46-47

14
[ 41731-52-6 ]
[ 960222-11-1 ]
[ 1028320-17-3 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate; In ISOPROPYLAMIDE; at 150℃;	39. Ethyl 2-r4-(2-oxo-1.4-dihvdroquinazolin-3(2HVvnpiperidin-l-yl1-1.3- thiazole-4-carboxylate; A mixture of 3-piperidin-4-yl-3,4-dihydroquinazolin-2(lH)-one trifluoroacetate (1.00 g, 2.90 mmol), ethyl 2-chloro-4-thiazolocarboxylate (0.771 g, 4.34 mmol), K2CO3 (1.20 g, 8.70 mmol) and DMA (2 mL) is heated at 150 C overnight. The mixture is filtered, concentrated in vacuo and purified by silica gel column chromatography to afford the title compound as a white solid, m/z (ES+) 373.12 (M+H+).
	With potassium carbonate; In ISOPROPYLAMIDE; at 150℃;	22. Ethyl 2-r4-("2-oxo-1.4-dihvdroquinazolin-3(2H)-vnpiperidin-l-yl1-1.3-thiazole-4- carboxylate; A mixture of 3-piperidin-4-yl-3,4-dihydroquinazolin-2(lH)-one trifluoroacetate (1.00 g, 2.90 mmol), ethyl 2-chloro-4-thiazolocarboxylate (0.771 g, 4.34 mmol), K2CO3 (1.20 g, 8.70 mmol) and DMA (2 mL) is heated at 150 0C overnight. The mixture is filtered, concentrated in vacuo and purified by silica gel column chromatography to afford the title compound as a white solid. MS: 373.12 (M+H).

Reference： [1]Patent: WO2008/60568,2008,A2 .Location in patent: Page/Page column 69
[2]Patent: WO2008/70014,2008,A2 .Location in patent: Page/Page column 59

15
[ 41731-52-6 ]
[ 928256-35-3 ]

Yield	Reaction Conditions	Operation in experiment
34%	With ammonia; In water; for 3h;	16 g Ethyl 2-chlorothiazol-4-carboxylate was added to 120 ml ammonia water, and reacted for 3 hr. The resultant reaction mixture was extracted with ethyl acetate, dried over anhydrous sodium sulfate, filtered and concentrated to obtain 5.6 g of a colorless fine needle crystal (yield 34%); 1H NMR (DMSO-d6)7.66(1H,s); 7.85(1H,s); 8.24(1H,s); 13C NMR (DMSO-d6,ppm) 127.35, 148.47, 150.46, 161.06.
34%	With ammonia; In water; for 3h;	16 g Ethyl 2-chlorothiazol-4-carboxylate was added to 120 ml ammonia water, and reacted for 3 hr. The resultant reaction mixture was extracted with ethyl acetate, dried over anhydrous sodium sulfate, filtered and concentrated to obtain 5.6 g of a colorless fine needle crystal (yield 34%); 1H NMR (DMSO-d6) 7.66 (1H, s); 7.85 (1H, s); 8.24 (1H, s); 13C NMR (DMSO-d6, ppm) 127.35, 148.47, 150.46, 161.06.
	With ammonia; at 20℃; for 3h;	Synthesis of Intermediate (2)[00574] In a 3-neck 500 mL round-bottomed flask, intermediate 1 (21.0 g, 1 eq.) was dissolved in Liq. NH3 (300 mL, 15 Vol) and reaction mixture was stirred at RT for 3 h. Reaction completion was monitored on TLC using ethyl acetate: hexane (3:7) as mobile phase. Product was filtered and washed with water (3x100 mL). Product was dissolved in ethyl acetate (500 mL) followed by drying using anhydrous sodium sulfate. Organic layer was concentrated under reduced pressure to afford 13.4 g of crude compound. Crude compound was carry forward in next step. Yield (74.0%), NMR: confirmed.

Reference： [1]Patent: EP2039686,2009,A1 .Location in patent: Page/Page column 26
[2]Patent: US2010/87448,2010,A1 .Location in patent: Page/Page column 17
[3]Patent: WO2011/109799,2011,A1 .Location in patent: Page/Page column 220

16
[ 41731-52-6 ]
[ 1135871-91-8 ]
[ 1135872-17-1 ]

Yield	Reaction Conditions	Operation in experiment
22%		a) 2-(8-Oxo-5,6,7,8-tetrahydro-naphthalen-2-yl)-thiazole-4-carboxylic acid ethyl esterl-Tetralone-7-boronic acid pinacol ester (250mg, 0.92 mmol), 2-chlorothiazole-4- carboxylic acid ethyl ester (153mg, 0.80 mmol), tetrabutylammoniumborohydride (25mg, 0.085 mmol), potassium carbonate (295mg, 2.14 mmol) and trans- dichlorobis(triphenylphosphine)palladium(II) (27mg, 0.038 mmol) were dissolved in dioxane (4 mL) and water (2 mL). Under microwave conditions (120W) the solution was heated at 1000C for 2 hours. After cooling the reaction mixture was poured into a water/ethyl acetate mixture (100 mL). After extraction, the aqueous layer was acidified with 2N hydrochloric acid (pH~3) to give a white precipitate which was collected by filtration to give the desired product (62mg, 22%). 1H NMR (CDCl3) delta (ppm):1.41 (t, 3H), 2.16 (m, 2H), 2.69 (t, 2H), 3.00 (t, 2H), 4.43 (q, 2H), 7.35 (d, IH), 8.15 (s, IH), 8.25 (dd, IH), 8.49 (s, IH).

Reference： [1]Patent: WO2009/39553,2009,A1 .Location in patent: Page/Page column 106

17
[ 41731-52-6 ]
[ 107-19-7 ]
[ 861135-91-3 ]

Yield	Reaction Conditions	Operation in experiment
		Example 12-2; Ethyl 2- (2-propynyloxy)-1, 3-thiazole-4-carboxylate; 0.20 g of propargyl alcohol was dissolved in 20 ml of tetrahydrofuran, and 0.13 g of 60% sodium hydride was added at room temperature. The mixture was stirred at room temperature for 1 hour. After 0.50 g of ethyl 2-chloro- 1, 3-thiazole-4-carboxylate was added, the reaction mixture was stirred at room temperature for 3 hours. After aqueous saturated ammonium chloride was added, the reaction mixture was extracted with methyl-t-butyl ether. The organic layer was washed with aqueous saturated sodium chloride, dried over anhydrous sodium sulfate and then concentrated under reduced pressure. The residue was subjected to silica gel column chromatography to obtain 0.33 g of ethyl 2- (2- propynyloxy)-1, 3-thiazole-4-carboxylate. 1H-NMR (CDCl3, TMS, 8 (ppm) ): 1.38 (3H, t), 2.61 (1H, s), 4.38 (2H, q), 5.14 (2H, s), 7.62 (1H, s)

Reference： [1]Patent: WO2005/68432,2005,A1 .Location in patent: Page/Page column 189

18
[ 41731-52-6 ]
[ 227017-79-0 ]
[ 1392426-83-3 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 5764 - 5768

19
[ 70-23-5 ]
[ 41731-52-6 ]

Reference： [1]Organic and Biomolecular Chemistry,2012,vol. 10,p. 5764 - 5768

20
[ 1001-26-9 ]
[ 41731-52-6 ]

Reference： [1]Patent: US2013/178470,2013,A1

21
[ 41731-52-6 ]
[ 101012-12-8 ]

Yield	Reaction Conditions	Operation in experiment
70%	With water; sodium hydroxide; In ethanol; at 20℃;	Ethyl 2-chlorothiazole-4-formate (8.8 g, 45 mmol) is dissolved in ethanol (100 mL), and sodium hydroxide (2.13 g, 53.3 mmol) and water (50 mL) are added. After being stirred at room temperature overnight, ethanol is removed under reduced pressure, and the reaction mixture is diluted with water (50 mL). After being washed with ethylether (50 mL), the pH of the mixture is adjusted to about 2 with HCl . The obtained solids are collected through filtration, washed with water and dried to give compound (2-3) (5.12 g, 70%).

Reference： [1]Patent: US2013/178470,2013,A1 .Location in patent: Paragraph 0107

22
[ 41731-52-6 ]
[ 7087-68-5 ]
ethyl 2-[1-(diisopropylamino)ethyl]thiazole-4-carboxylate [ No CAS ]
C₁₄H₂₄N₂O₂S [ No CAS ]

Reference： [1]Organic Letters,2013,vol. 15,p. 5390 - 5393

23
[ 123-75-1 ]
[ 41731-52-6 ]
ethyl 2-(pyrrolidin-1-yl)thiazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	With N,N-diethyl-N-isopropylamine; In 1,4-dioxane; at 60℃; for 2h;	A mixture of <strong>[41731-52-6]ethyl 2-chlorothiazole-4-carboxylate</strong> (500 mg, 2.6 mmol), pyrrolidine (210 mg, 2.98 mmol) and diethylisopropyl amine (1 mL) in p-dioxane (5 mL) was heated to 60 C. for 2 h. After cooling to room temperature, the solution was concentrated in vacuo and the residue purified by flash chromatography (SiO2, 2 to 5% MeOH in CH2Cl2 as eluent) to give the desired compound as a foam (400 mg, 68% yield, which was used directly for the next step). MS: (ES) m/z 227.1 (M+H+).

Reference： [1]Patent: US2014/154179,2014,A1 .Location in patent: Paragraph 0181; 0182; 0188; 0189

24
[ 41731-52-6 ]
[ 660449-16-1 ]
[ 660449-97-8 ]

Yield	Reaction Conditions	Operation in experiment
56%		A mixture of compound 12 (0.50 g, 0.90 mmol), bis(pinacolato)diboron (0.25 g, 1.0 mmol), andpotassium acetate (0.27 g, 2.7 mmol) in dimethylsulfoxide (20 mL) was stirred at 80 C for 10 min under an argonatmosphere. To the resulting solution was added (1,1?-Bis(diphenylphosphino)ferrocene)dichloropalladium(II)(dichloromethane complex, 20 mg, 0.027 mmol). After stirring at 100 C for 15 min under an argon atmosphere,the reaction mixture was cooled and partitioned between ethyl acetate and water. The organic layer was washedwith brine, dried over MgSO4, and concentrated in vacuo. The residue was dissolved in toluene-methanol-water(5:1:1, v/v, 28 mL). To the solution were added compound 13a (0.17 g, 0.90 mmol), K2CO3 (0.63 g, 4.5 mmol), andtetrakis(triphenylphosphine)palladium(0) (0.10 g, 0.090 mmol), and the resulting mixture was stirred at reflux for17 h under an argon atmosphere. The reaction mixture was cooled and partitioned between water and ethyl acetate.The organic layer was washed with brine, dried over MgSO4, and concentrated in vacuo. The residue was purifiedby column chromatography (silica gel, eluting with a gradient of 10-30% ethyl acetate in hexanes) followed bypreparative HPLC to afford the title compound 14a (0.28 g, 56%) as a white powder

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 3565 - 3571

25
[ 41731-52-6 ]
2'-((4-(2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-5-yl)oxy)-2-cyclopropyl-5'-fluoro-[1,1'-biphenyl]-4-carbonitrile [ No CAS ]
ethyl 2-(7-(5-((4'-cyano-2'-cyclopropyl-5-fluoro-[1,1'-biphenyl]-2-yl)oxy)pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-2-yl)thiazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
100 mg	With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 100℃; for 16h;Microwave irradiation;	Example 55. (1041) Ethyl 2-(7-(5-((4'-cyano-2'-cyclopropyl-5-fluoro-[1,1'-biphenyl]-2-yl)oxy)pyrimidin- 4-yl)-2,7-diazaspiro[4.4]nonan-2-yl)thiazole-4-carboxylate (1042) (1043) To a solution of 2'-((4-(2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-5-yl)oxy)-2- cyclopropyl-5'-fluoro- [1,1'-biphenyl]-4-carbonitrile (220 mg, 0.48 mmol) in DMF (5 mL) was added <strong>[41731-52-6]ethyl 2-chlorothiazole-4-carboxylate</strong> (111 mg, 0.58 mmol), CuI (9.2 mg, 0.048 mmol) and K2CO3 (132 mg, 0.96mmol)and the reaction mixture was heated in a microwave at 100 C for 16 h. The mixture was then filtered through celite and the filter cake was washed twice with EtOAc (30 mL). The filtrate was combined and diluted with H2O (100 mL), extracted with EtOAc (50 mL × 2). The combined organic layer was dried over Na2SO4, filtered and concentrated to give the crude product which was purified by preparative TLC (petroleum ether:ethyl acetate = 1:2) to afford ethyl 2-(7-(5- ((4'-cyano-2'-cyclopropyl-5-fluoro-[1,1'-biphenyl]-2-yl)oxy)pyrimidin-4-yl)-2,7- diazaspiro[4.4]nonan-2-yl)thiazole-4-carboxylate as a brown oil. Yield: 100 mg. LCMS method C: Rt = 0.783 min, (M+H)+ = 610.9.1H NMR (CDCl3): delta 8.35 (s, 1 H), 7.77 (s, 1 H), 7.35-7.50 (m, 2 H), 7.15-7.25 (m, 2 H), 6.95-7.10 (m, 2 H), 6.83 (s, 1 H), 4.30-4.45 (m, 2 H), 3.60-3.75 (m, 2 H), 3.40-3.60 (m, 6 H), 1.85-2.05 (m, 4 H), 1.55-1.80 (m, 1 H), 1.20-1.50 (m, 3 H), 0.85-0.95 (m, 2 H), 0.60-0.75 (s, 2 H).19F NMR (CDCl): delta -118.94.

Reference： [1]Patent: WO2017/214367,2017,A1 .Location in patent: Page/Page column 225-226

26
[ 41731-52-6 ]
[ 922516-50-5 ]

Reference： [1]Patent: WO2007/14290,2007,A2

27
[ 41731-52-6 ]
[ 922516-49-2 ]

Reference： [1]Patent: WO2007/14290,2007,A2

28
[ 41731-52-6 ]
[ 1679-18-1 ]
[ 61786-00-3 ]

Yield	Reaction Conditions	Operation in experiment
0.38 g	With 1,1'-bis-(diphenylphosphino)ferrocene; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 90℃;	180 Compound 2003 according to Example 180 of the present invention was synthesized according to Scheme 56 below. In Scheme 56,Ethyl-2-chlorothiazole (0.5 g, 1 eq), Pd(PPh3)4 (0.15 g, 5 mol%), DPPF (43 mg, 3 mol%),A K2CO3 aqueous solution (0.72 g in H2O 1 mL) and boronic acid (0.81 g, 2 eq) were dissolved in 10 mL of toluene.Then, after stirring overnight at 90°C,After addition of 2N NaOH, extraction with EA,After drying with Na2SO4, separated by MPLC (24g-silica-gel, EA/Hexane),Ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate (0.38 g) was obtained.
	With 1,1'-bis-(diphenylphosphino)ferrocene; tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate In water; toluene at 90℃; for 12h;	General procedure for the synthesis of intermediate 55 by Suzuki coupling (step c) General procedure: Toan oven-dried round bottom flask charged withethyl 2-chlorothiazole-4-carboxylate(500 mg, 2.60 mmol, 1.0 equiv.), toluene (10 mL),Pd(PPh3)4(150 mg, 0.13 mmol, 0.05 equiv.), DPPF (43 mg, 0.08 mmol, 0.03 equiv.), and saturated aqueous K2CO3solution (720 mg, 5.20 mmol, 2.0 equiv. in 1mL H2O) was added 4-chlorophenylboronic acid(813 mg, 5.20 mmol, 2.0 equiv.).The reaction mixture was allowed to stir at 90oC for 12 h. The reaction mixture wascooled to room temperature, 2N NaOH solution and the resulting mixture was extracted with EtOAc. The organic layer was dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified byMPLC (24g-silica-gel,n-hexanes/EtOAc)to affordethyl 2-(4-chlorophenyl)thiazole-4-carboxylate.

Reference： [1]Current Patent Assignee: BORYUNG PHARM CO.,LTD. - KR2020/115934, 2020, A Location in patent: Paragraph 1432; 1436-1438
[2]Jung, Hui Jin; Nam, Eun Hye; Park, Jin Young; Ghosh, Prithwish; Kim, In Su [Bioorganic and Medicinal Chemistry Letters, 2021, vol. 37]

29
[ 41731-52-6 ]
[ 36801-01-1 ]
ethyl 2-((4-cyanophenyl)thio)thiazole-4-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44 mg	With potassium carbonate In N,N-dimethyl-formamide at 100℃;	438 Compound 2261 according to Example 438 of the present invention was synthesized according to Scheme 90 below. In Scheme 90, ethyl 2-chlorothiazole-4-carboxylate (100 mg, 1 eq), 4-chlorobenzenethiol (4-chlorobenzenethiol, 75 mg, 1 eq) and K2CO3 216 mg (3 eq) was dissolved in 2.6 mL of DMF. Stirred at 100° C. overnight,After extraction with purified water and EA, it was purified by MPLC (EA/Hexane) to obtain (ethyl 2-((4-cyanophenyl)thio)thiazole-4-carboxylate, 44 mg).

Reference： [1]Current Patent Assignee: BORYUNG PHARM CO.,LTD. - KR2020/115934, 2020, A Location in patent: Paragraph 3016-3022

30
[ 41731-52-6 ]
[ 128796-39-4 ]
[ 175204-88-3 ]

Yield	Reaction Conditions	Operation in experiment
	With 1,1'-bis-(diphenylphosphino)ferrocene; tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In water; toluene; at 90℃; for 12h;	General procedure: Toan oven-dried round bottom flask charged withethyl 2-chlorothiazole-4-carboxylate(500 mg, 2.60 mmol, 1.0 equiv.), toluene (10 mL),Pd(PPh3)4(150 mg, 0.13 mmol, 0.05 equiv.), DPPF (43 mg, 0.08 mmol, 0.03 equiv.), and saturated aqueous K2CO3solution (720 mg, 5.20 mmol, 2.0 equiv. in 1mL H2O) was added 4-chlorophenylboronic acid(813 mg, 5.20 mmol, 2.0 equiv.).The reaction mixture was allowed to stir at 90oC for 12 h. The reaction mixture wascooled to room temperature, 2N NaOH solution and the resulting mixture was extracted with EtOAc. The organic layer was dried over MgSO4, filtered, and concentrated under reduced pressure. The residue was purified byMPLC (24g-silica-gel,n-hexanes/EtOAc)to affordethyl 2-(4-chlorophenyl)thiazole-4-carboxylate.

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2021,vol. 37

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 41731-52-6 ]

Chlorides

[ 5198-87-8 ]

2-Chlorothiazole-4-carboxylic acid

Similarity: 0.90

[ 135925-33-6 ]

Ethyl 2,5-dichlorothiazole-4-carboxylate

Similarity: 0.85

[ 907545-27-1 ]

Ethyl 2-chloro-5-methylthiazole-4-carboxylate

Similarity: 0.84

[ 425392-45-6 ]

Ethyl 5-chlorothiazole-4-carboxylate

Similarity: 0.79

[ 1784463-68-8 ]

Methyl 5-chlorothiazole-4-carboxylate

Similarity: 0.77

Esters

[ 14527-43-6 ]

Ethyl thiazole-4-carboxylate

Similarity: 0.87

[ 135925-33-6 ]

Ethyl 2,5-dichlorothiazole-4-carboxylate

Similarity: 0.85

[ 907545-27-1 ]

Ethyl 2-chloro-5-methylthiazole-4-carboxylate

Similarity: 0.84

[ 425392-45-6 ]

Ethyl 5-chlorothiazole-4-carboxylate

Similarity: 0.79

[ 153027-86-2 ]

Ethyl 2-fluorothiazole-4-carboxylate

Similarity: 0.78

Related Parent Nucleus of
[ 41731-52-6 ]

Thiazoles

[ 5198-87-8 ]

2-Chlorothiazole-4-carboxylic acid

Similarity: 0.90

[ 14527-43-6 ]

Ethyl thiazole-4-carboxylate

Similarity: 0.87

[ 135925-33-6 ]

Ethyl 2,5-dichlorothiazole-4-carboxylate

Similarity: 0.85

[ 907545-27-1 ]

Ethyl 2-chloro-5-methylthiazole-4-carboxylate

Similarity: 0.84

[ 425392-45-6 ]

Ethyl 5-chlorothiazole-4-carboxylate

Similarity: 0.79

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
P102	Keep out of reach of children.
P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
P210	Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P211	Do not spray on an open flame or other ignition source.
P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
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:
P309	IF exposed or if you feel unwell:
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
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
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
Code	Phrase
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. 41731-52-6 ] {[proInfo.proName]}

Quality Control of [ 41731-52-6 ]

Related Doc. of [ 41731-52-6 ]

Product Details of [ 41731-52-6 ]

Calculated chemistry of [ 41731-52-6 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 41731-52-6 ]

Application In Synthesis of [ 41731-52-6 ]

[ 41731-52-6 ] Synthesis Path-Upstream 1~6

[ 41731-52-6 ] Synthesis Path-Downstream 1~30

Related Functional Groups of [ 41731-52-6 ]

Chlorides

Esters

Related Parent Nucleus of [ 41731-52-6 ]

Thiazoles

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 41731-52-6 ]

Related Parent Nucleus of
[ 41731-52-6 ]