[ CAS No. 1019021-93-2 ] {[proInfo.proName]}

Name: 1019021-93-2|7-Bromoimidazo[1,2-a]pyridine-3-carboxylic acid|97%
Brand: Ambeed
SKU: A167634
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Quality Control of [ 1019021-93-2 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 1019021-93-2 ]

Product Details of [ 1019021-93-2 ]

CAS No. :	1019021-93-2	MDL No. :	MFCD09994702
Formula :	C₈H₅BrN₂O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NNBDKJHKUYMGLT-UHFFFAOYSA-N
M.W :	241.04	Pubchem ID :	67261488
Synonyms :

Calculated chemistry of [ 1019021-93-2 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	49.85
TPSA :	54.6 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.59
Log Po/w (XLOGP3) :	2.31
Log Po/w (WLOGP) :	1.79
Log Po/w (MLOGP) :	1.05
Log Po/w (SILICOS-IT) :	0.96
Consensus Log Po/w :	1.54

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-3.24
Solubility :	0.14 mg/ml ; 0.000581 mol/l
Class :	Soluble
Log S (Ali) :	-3.09
Solubility :	0.194 mg/ml ; 0.000804 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.32
Solubility :	1.16 mg/ml ; 0.00481 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.73

Safety of [ 1019021-93-2 ]

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

Application In Synthesis of [ 1019021-93-2 ]

* 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 [ 1019021-93-2 ]
Downstream synthetic route of [ 1019021-93-2 ]

[ 1019021-93-2 ] Synthesis Path-Upstream 1~2

1
[ 1134327-98-2 ]
[ 1019021-93-2 ]

Reference： [1] Patent: WO2011/79076, 2011, A1, . Location in patent: Page/Page column 67
[2] Patent: WO2012/87519, 2012, A1, . Location in patent: Page/Page column 112
[3] Patent: WO2013/30802, 2013, A1, . Location in patent: Page/Page column 122
[4] Patent: WO2014/132220, 2014, A1, . Location in patent: Page/Page column 40; 41

2
[ 84249-14-9 ]
[ 1019021-93-2 ]

Reference： [1] Patent: WO2013/30802, 2013, A1,

[ 1019021-93-2 ] Synthesis Path-Downstream 1~41

1
[ 84249-14-9 ]
[ 1019021-93-2 ]

Reference： [1]Patent: WO2013/30802,2013,A1

2
[ 1134327-98-2 ]
[ 1019021-93-2 ]

Yield	Reaction Conditions	Operation in experiment
		Ethyl 7-bromoimidazo[l,2-a]pyridine-3-carboxylate (15 g, 56 mmol) and lithium hydroxide monohydrate (3 g, 71.4 mmol) were mixed with a 1 :2: 1 mixture of tetrahydrofuran/ethanol/ water (560 mL). The mixture was stirred at ambient temperature for 16 hours. The solvent was removed under vacuum to give a yellow gum. Water (300 mL) and dichloromethane were added and the phases were separated. The aqueous phase was cooled in an ice-water bath before adjusting the pH to 3 using 2N sulfuric acid. The product precipitated, was collected by filtration and was washed with a small amount of water (50 mL) then dried under vacuum to give 7-bromoimidazo[l,2-a]pyridine-3-carboxylic acid (8.3 g) as an off- white solid.
		To a solution of ethyl 7- bromoimidazo[l,2-a]pyridine-3-carboxylate (67 g, 250 mmol) in methanol (500 mL), sodium hydroxide (2N, 249ml, 500 mmol) was added. The resulting solution was stirred overnight at room temperature. The pH of the solution was adjusted to pH=6 with HCl (2N). The solids were collected by filtration to afford 7-bromo-imidazo[l ,2-a]pyridine-3-carboxylic acid as white solid. MS [M+H]+ 241/243.1H-NMR: (DMSO-d6, 300 MHz): 13.3 (br, 1H), 9.19 (dd, J = 7.5, 0.9Hz, 1H), 8.25 (s, 1H), 8.15 (d, J = 1.5 Hz, 1H), 7.39 (dd, J = 7.5, 1.8 Hz, 1H).
	With water; sodium hydroxide; In methanol; water; at 60℃; for 0.666667h;	Step 3: 7-Bromoimidazo[1 ,2-a]pyridine-3-carboxylicEthyl 7-bromoimidazo[1 ,2-a]pyridine-3-carboxylate (step 2)(30.81 g, 1 14 mmol) in MeOH (172 ml) was treated with 2M NaOH (172 ml, 343 mmol) and the mixture was heated to 60C for 40 minutes. The volatile solvent was removed in vacuo and the crude material was treated with 2M sodium bisulfate solution to adjust the pH to 6-7. The resulting solid was collected by filtrationand added to water (400 ml). The mixture was stirred and heated to 90C for 1 h. After cooling to RT, the suspension was filtered and dried in a vacuum over at 40C to afford the title product;LC-MS: Rt 0.59 mins; MS m/z 243.1 {M+H}+; Method 2minl_C_v003

With water; sodium hydroxide; In methanol; at 60℃; for 0.666667h;

Ethyl 7-bromoimidazo[1,2-a]pyridine-3-carboxylate (step 2)(30.81 g, 1 14 mmol) in MeOH (172 ml) was treated with 2M NaOH (172 ml, 343 mmol) and the mixture was heated to 60C for 40 minutes. The volatile solvent was removed in vacuo and the crude material was treated with 2M sodium bisulfate solution to adjust the pH to 6-7. The resulting solid was collected by filtrationand added to water (400 ml). The mixture was stirred andheated to 90C for 1 h. After cooling to RT, the suspension was filtered and dried in a vacuum over at 40C to afford the title product; LC-MS: Rt 0.59 mins; MS m/z 243.1 {M+H}+; Method 2minl_C_v003 Intermediate 2

Reference： [1]Patent: WO2011/79076,2011,A1 .Location in patent: Page/Page column 67
[2]Patent: WO2012/87519,2012,A1 .Location in patent: Page/Page column 112
[3]Patent: WO2013/30802,2013,A1 .Location in patent: Page/Page column 122
[4]Patent: WO2014/132220,2014,A1 .Location in patent: Page/Page column 40; 41

3
[ 67-56-1 ]
[ 1019021-93-2 ]
[ 1313410-86-4 ]

Yield	Reaction Conditions	Operation in experiment
89%		7-bromoimidazo[l,2-a]pyridine-3-carboxylic acid (4.93 g, 20.5 mmol) was dissolved in 80 mL of dry dichloromethane. To this solution was added oxalyl chloride (20.5 mL, 40.9 mmol, 2M in dichloromethane) followed by a few drops of DMF. The mixture was stirred at ambient temperature for 16 hours, then concentrated under reduced pressure. The resulting material was taken up in 100 mL of methanol and stirred at ambient temperature for 6 hours, then concentrated under reduced pressure. The resulting material was suspended in saturated aqueous sodium bicarbonate, extracted with dichloromethane and EtOAc. The organics were combined, dried over sodium sulfate and concentrated under reduced pressure to give 4.63 g (89%) of the title compound.

Reference： [1]Patent: WO2012/82689,2012,A1 .Location in patent: Page/Page column 103

4
[ 1019021-93-2 ]
[ 1383472-11-4 ]

Reference： [1]Patent: WO2012/82689,2012,A1

5
[ 1019021-93-2 ]
[ 1383474-87-0 ]

Reference： [1]Patent: WO2012/82689,2012,A1

6
[ 1019021-93-2 ]
[ 1426133-19-8 ]

Reference： [1]Patent: US2013/59832,2013,A1

7
[ 1019021-93-2 ]
[ 1426133-59-6 ]

Reference： [1]Patent: US2013/59832,2013,A1

Yield	Reaction Conditions	Operation in experiment
		General procedure: To a stirring solution of ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (23) (100 mg, 0.387 mmol) in THF: MeOH (4:1, 1.5 mL) was added 2N LiOH (0.25 mL). The reaction was heated at 60 C. for 1 hour. Then, cooled to room temperature and the pH was adjusted between 4-5 with 1N HCl. The solvent was partially concentrated and the resulting aqueous layer was lyophilized to give 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (24). 1H NMR (400 MHz, d6-DMSO) delta 9.44 (d, J=7.2 Hz, 1H), 8.40 (s, 1H), 8.31-8.30 (m, 1H), 7.48 (dd, J=2.0, 7.6 Hz, 1H). MS m/z 231.2 (M+1)+.
	With lithium hydroxide; In tetrahydrofuran; methanol; at 60℃; for 1h;	General procedure: Ethyl 2-chloroacetate (20 mL, 187 mmol) and ethyl formate (15.1 mL, 187 mmol) were added simultaneously to a stirred and cooled suspension of potassium tert-butoxide (21.4 g, 188 mmol) in dry diisopropylether (300 mL). After the addition, the reaction was warmed to room temperature and stirred overnight. The yellow suspension was filtered and the solid potassium 2-chloro-3-ethoxy-3-oxoprop-1-en-1-olate (22) was vacuum dried and used directly in the following step.; To a stirring suspension of 4-(trifluoromethyl)pyridin-2-amine (128 mg, 0.791 mmol) and potassium 2-chloro-3-ethoxy-3-oxoprop-1-en-1-olate (22) (500 mg, 2.64 mmol) in EtOH (5 mL) at room temperature was added sulfuric acid (70 L, 1.32 mmol) dropwise. The reaction mixture was stirred at room temperature overnight then heated at 78 C. for 3 hours. The reaction was cooled to room temperature and the solvent was concentrated. The residue was taken in water and the pH was adjusted between 6-8 with saturated sodium bicarbonate. The crude product was extracted with ethyl acetate. The organic was washed with brine and dried over anhydrous sodium sulfate. The crude product 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (23) was purified by silica chromatography. MS m/z 259.3 (M+1)+.; To a stirring solution of ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate (23) (100 mg, 0.387 mmol) in THF:MeOH (4:1, 1.5 mL) was added 2N LiOH (0.25 mL). The reaction was heated at 60 C. for 1 hour. Then, cooled to room temperature and the pH was adjusted between 4-5 with 1N HCl. The solvent was partially concentrated and the resulting aqueous layer was lyophilized to give 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (24). 1H NMR (400 MHz, d6-DMSO) delta 9.44 (d, J=7.2 Hz, 1H), 8.40 (s, 1H), 8.31-8.30 (m, 1H), 7.48 (dd, J=2.0, 7.6 Hz, 1H). MS m/z 231.2 (M+1)+.
		General procedure: To a stirring solution of ethyl 7-(trifluoromethyl)imidazo[1 ,2-a]pyridine-3-carboxylate (23) (100 mg, 0.387 mmol) in THF : MeOH (4:1 , 1 .5 ml_) was added 2N LiOH (0.25 ml_). The reaction was heated at 60 C for 1 hour. Then, cooled to room temperature and the pH was adjusted between 4-5 with 1 N HCI. The solvent was partially concentrated and the resulting aqueous layer was lyophilized to give 7-(trifluoromethyl)imidazo[1 ,2- a]pyridine-3-carboxylic acid (24). 1 H NMR (400MHz, c/6-DMSO) delta 9.44 (d, J = 7.2 Hz, 1 H), 8.40 (s, 1 H), 8.31 - 8.30 (m, 1 H), 7.48 (dd, J = 2.0, 7.6 Hz, 1 H). MS m/z 231 .2 (M+1 ) +.

		General procedure: To a stirring solution of ethyl 7-methylimidazo[1 ,2-a]pyridine-3-carboxylate (12) (10 g, 38.7 mmol) in THF:MeOH (4:1 , 50 ml_) was added 2M LiOH (25 ml_). The reaction was heated at 60 C for 1 hour. The solvent was evaporated and the solid was redissolved in water. The pH value was adjusted to 4-5 with solid NaHS04. The precipitate was collected by filtration to give 7-methylimidazo[1 ,2-a]pyridine-3-carboxylic acid (13). 1 H NMR (400MHz, c/6-DMSO) delta 9.15 (d, J = 8.0 Hz, 1 H), 8.15 (s, 1 H), 7.57 (s, 1 H), 7.06 (dd, J = 6.8, 1 .6 Hz, 1 H). MS m/z 177.6 (M+1 ) +.
		General procedure: Ethyl 2-chloroacetate (20 mL, 187 mmol) and ethyl formate (15.1 ml_, 187 mmol) were added simultaneously to a stirred and cooled suspension of potassium tert- butoxide (21 .4 g, 188 mmol) in dry diisopropylether (300 mL). After the addition, the reaction was warmed to room temperature and stirred overnight. The yellow suspension was filtered and the solid potassium 2-chloro-3-ethoxy-3-oxoprop-1 -en-1 -olate (22) was vacuum dried and used directly in the following step. To a stirring suspension of 4-(trifluoromethyl)pyridin-2-amine (128 mg, 0.791 mmol) and potassium 2-chloro-3-ethoxy-3-oxoprop-1 -en-1 -olate (22) (500 mg, 2.64 mmol) in EtOH (5 mL) at room temperature was added sulfuric acid (70 mu?, 1 .32 mmol) dropwise. The reaction mixture was stirred at room temperature overnight then heated at 78 C for 3 hours. The reaction was cooled to room temperature and the solvent wasconcentrated. The residue was taken in water and the pH was adjusted between 6-8 with saturated sodium bicarbonate. The crude product was extracted with ethyl acetate. The organic was washed with brine and dried over anhydrous sodium sulfate. The crude product 7-(trifluoromethyl)imidazo[1 ,2-a]pyridine-3-carboxylate (23) was purified by silica chromatography. MS m/z 259.3 (M+1 ) +. To a stirring solution of ethyl 7-(trifluoromethyl)imidazo[1 ,2-a]pyridine-3-carboxylate (23) (100 mg, 0.387 mmol) in THF : MeOH (4:1 , 1 .5 mL) was added 2N LiOH (0.25 mL). The reaction was heated at 60 C for 1 hour. Then, cooled to room temperature and the pH was adjusted between 4-5 with 1 N HCI. The solvent was partially concentrated and the resulting aqueous layer was lyophilized to give 7-(trifluoromethyl)imidazo[1 ,2- a]pyridine-3-carboxylic acid (24). 1 H NMR (400MHz, c/6-DMSO) delta 9.44 (d, J = 7.2 Hz, 1 H), 8.40 (s, 1 H), 8.31 - 8.30 (m, 1 H), 7.48 (dd, J = 2.0, 7.6 Hz, 1 H). MS m/ 231 .2 (M+1 ) +.

9
[ 1019021-93-2 ]
C₈H₄BrClN₂O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20℃; for 1.5h;Inert atmosphere;	To a stirring suspension of <strong>[1019021-93-2]7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid</strong> (24f) (400 mg, 1.67 mmol), in anhydrous dichloromethane (2 mL) at 0 C. under Argon was added dropwise oxalyl chloride (325 muL, 3.72 mmol). Then, a drop of anhydrous DMF was added and the reaction mixture was stirred at room temperature for 1.5 hour. The solvent was concentrated and the crude solid was added portion-wise to a stirring solution of methyl 3-(3-(3-amino-4-methylphenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate (31) (429 mg, 1.49 mmol) in anhydrous pyridine (1 mL) at 0 C. The reaction was stirred to room temperature under Argon for 30 minutes. Then, the reaction was quenched with water. The solvent was concentrated and the crude product was purified by silica chromatography to yield methyl 3-(3-(3-(7-bromoimidazo[1,2-a]pyridine-3-carboxamido)-4-methylphenyl)-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate (42). MS m/z 511.1 (M+1)+.

Reference： [1]Patent: US2013/59832,2013,A1 .Location in patent: Paragraph 0453; 0454
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

10
[ 1019021-93-2 ]
[ 1426135-85-4 ]

Reference： [1]Patent: US2013/59832,2013,A1

11
[ 1019021-93-2 ]
[ 369-26-6 ]
[ 1426530-70-2 ]

Yield	Reaction Conditions	Operation in experiment
		A mixture comprising 7-bromoimidazo[1 ,2-a]pyridine-3-carboxylic acid (13c )(1 .8 g, approximately 7.47 mmol) and thionyl chloride (10 mL, 137 mmol) under N2 was heated at reflux for 1 .5 hours. The reaction mixture was concentrated in vacuo and azeotroped with toluene. Methyl 3-amino-4-fluorobenzoate (7) (1 .263 g, 7.47 mmol) (pre-dried at 45 °C) was added followed by pyridine and the mixture was stirred at room temperature under N2 overnight. The reaction mixture was diluted with EtOAc and washed with H20. The resulting solid was collected by filtration. The filtrate was dried (MgS04) and concentrated in vacuo and triturated with ether to afford a cream solid. The solids were combined and dried at 45 °C to afford the title compound (33). 1 H NMR (400MHz, d6- DMSO) delta 10.3 (1 H, s), 9.4 (1 H, d), 8.6 (1 H, s), 8.3 (1 H, m), 8.2 (1 H, s), 7.9 (1 H, m), 7.5 (1 H, t), 7.4 (1 H, d), 3.9 (3H, s). MS m/z 392 (M+H)+.
		To the solution of compound 7-bromoimidazo[1,2-a]pyridine-3-carboxylic acid (Intermediate 1) (1.26 Kg, 5.23 mol) in DMAC (15 L) was added dropwise SOCl2 (1.86 kg, 15.6 mol) at 10 °C in 30 min. To the resulting mixture warmed to 20°C was added compound <strong>[369-26-6]methyl 3-amino-4-fluorobenzoate</strong> (884 g, 5.23 mol) in DMAC (3.0 L) over 30 min. After addition, the reaction temperature went up to 30 °C. HPLC showed the reaction went to completion within 5 min. To the reaction mixture was added water (20 L) over 20 min. The mixture was filtered and dried under vacuum to afford the title compound as a white solid; 1 H NMR (400 MHz, DMSO-d6) delta 3.87 (s, 3 H) 7.57 (dd, J=7.28, 2.01 Hz, 1 H) 7.51 (dd, J=10.16, 8.66Hz, 1 H) 7.90 (td, J=4.33, 2.38 Hz, 1 H) 8.29 (m, 2H) 8.90 (s, 1 H) 9.43 (d, J=7.53 Hz, 1 H) 10.78 (s, 1 H) Rt 6.90 mins; MS m/z 394.0 {M+H}+; Method 10 min LC
		Step 1 : 3-[(7-Bromo-imidazo[1 ,2-a]pyridine-3-carbonyl)-amino]-4-fluoro-benzoic acid methyl esterTo the solution of compound 7-bromoimidazo[1 ,2-a]pyridine-3-carboxylic acid (Intermediate A step 3) (1 .26 Kg, 5.23 mol) in DMAC (15 L) was added dropwise SOCI2 (1.86 kg, 15.6 mol) at 10 °C in 30 min. To the resulting mixture warmed to 20°C was added compound <strong>[369-26-6]methyl 3-amino-4-fluorobenzoate</strong> (884 g, 5.23 mol) in DMAC (3.0 L) over 30 min. After addition, the reaction temperature went up to 30 °C. HPLC showed the reaction went to completion within 5 min. To the reaction mixture was added water (20 L) over 20 min. The mixture was filtered and dried under vacuum to afford the title compound as a white solid;1 H NMR (400 MHz, DMSO-cfe) delta 3.87 (s, 3 H) 7.57 (dd, J=7.28, 2.01 Hz, 1 H) 7.51 (dd, J=10.16, 8.66Hz, 1 H) 7.90 (td, J=4.33, 2.38 Hz, 1 H) 8.29 (m, 2H) 8.90 (s, 1 H) 9.43 (d, J=7.53 Hz,1 H) 10.78 (s, 1 H)Rt 6.90 mins; MS m/z 394.0 {M+H}+; Method 10

Reference： [1]Patent: WO2013/33620,2013,A1 .Location in patent: Page/Page column 85-86
[2]Patent: WO2014/132220,2014,A1 .Location in patent: Page/Page column 27; 28
[3]Patent: WO2013/30802,2013,A1 .Location in patent: Page/Page column 81

12
[ 18595-18-1 ]
[ 1019021-93-2 ]
[ 1426530-73-5 ]

Yield	Reaction Conditions	Operation in experiment
		Intermediate 1 B Methyl 3-(7-bromoimidazo[1 ,2-a]pyridine-3-carboxamido)-4- methylbenzoateA mixture comprising 7-bromoimidazo[1 ,2-a]pyridine-3-carboxylic acid (Intermediate 1 A step 3) (750 mg, 3.1 1 mmol) and thionyl chloride (5 ml, 68.5 mmol) under N2 was heated at reflux for 2hrs. The mixture was concentrated in vacuo and azeotroped with toluene. Methyl 3-amino-4-methylbenzoate (514 mg, 3.1 1 mmol) (pre-dried at 45C) was added followed by pyridine (5 ml) and the mixture was stirred at room temperature under N2 overnight. The reaction mixture was diluted with EtOAc and washed with sat. NaHC03, brine, H20, dried (MgS04) and concentrated in vacuo. Purification by chromatography on silica eluting with 50-100% EtOAc in iso-hexane afforded the title compound as an orange solid;LC-MS: Rt 0.94 mins; MS m/z 390/391/392 {M+H}+; Method 2minl_C_v0031 H NMR (400MHz, DMSO-d6) delta 10.0 (1 H, s), 9.4 (1 H, d), 8.6 (1 H, s), 8.2 (1 H, d), 8.0(1 H, d), 7.8 (1 H, d), 7.5 (1 H, d), 7.3 (1 H, d), 3.9 (3H, s), 2.4 (3H, s

Reference： [1]Patent: WO2013/30802,2013,A1 .Location in patent: Page/Page column 123

13
[ 1019021-93-2 ]
3-amino-N-(2-(2,6-cis-dimethylpiperidin-1-yl)ethyl)-4-fluorobenzamide [ No CAS ]
7-bromo-N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Step 2: 7-Bromo-N-(5-(2-(2,6-cis-dimethvlpiperidin-1-vl)ethylcarbamovl)-2- fluorophenyl)imidazo[1 ,2-a]pyridine-3-carboxamide7-Bromoimidazo[1 ,2-a]pyridine-3-carboxylic acid (Intermediate 1A step 3) (1.150 g, 4.77 mmol) was suspended in toluene (10 ml) and treated with thionyl chloride (1 .045 ml, 14.32 mmol). The mixture was at 100C for 2hrs. The solvent was removed in vacuo and the solid was added to a stirred solution of 3-amino-N-(2-(2,6-cis-dimethyl piperidin-1-yl)ethyl)-4-fluorobenzamide (1 .4 g, 4.77 mmol) in dry pyridine (5 ml) containing oven dried molecular sieves. The mixture was stirred at RT under nitrogen atmosphere overnight. The solvent was removed in vacuo and purification of the crude product by chromatography on silica eluting with 0-20% MeOH in DCM afforded the title compound;LC-MS: Rt 0.82 mins; MS m/z 516{M+H}+; Method 2minl_C_v003

Reference： [1]Patent: WO2013/30802,2013,A1 .Location in patent: Page/Page column 133

14
[ 1019021-93-2 ]
[ 1426531-23-8 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914
[2]Patent: WO2013/30802,2013,A1

15
[ 1019021-93-2 ]
[ 1426530-68-8 ]

Reference： [1]Patent: WO2013/30802,2013,A1

16
[ 1019021-93-2 ]
[ 1426530-77-9 ]

Reference： [1]Patent: WO2013/30802,2013,A1

17
[ 1019021-93-2 ]
[ 1426530-82-6 ]

Reference： [1]Patent: WO2014/132220,2014,A1
[2]Patent: WO2014/132220,2014,A1
[3]Patent: WO2013/30802,2013,A1

18
[ 1019021-93-2 ]
[ 1426530-69-9 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914
[2]Patent: WO2013/30802,2013,A1

19
[ 1019021-93-2 ]
[ 1426530-71-3 ]

Reference： [1]Patent: WO2013/30802,2013,A1

20
[ 1019021-93-2 ]
[ 1426530-94-0 ]

Reference： [1]Patent: WO2014/132220,2014,A1
[2]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914
[3]Patent: WO2013/30802,2013,A1

21
[ 1019021-93-2 ]
[ 1426530-72-4 ]

Reference： [1]Patent: WO2013/30802,2013,A1

22
[ 1019021-93-2 ]
N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide citric acid [ No CAS ]

Reference： [1]Patent: WO2013/30802,2013,A1

23
[ 1019021-93-2 ]
[ 1426530-74-6 ]

Reference： [1]Patent: WO2013/30802,2013,A1

24
[ 1019021-93-2 ]
[ 1426530-75-7 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914
[2]Patent: WO2013/30802,2013,A1

25
[ 1019021-93-2 ]
[ 1426531-24-9 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914
[2]Patent: WO2013/30802,2013,A1

26
[ 1019021-93-2 ]
3-amino-N-(2-(2,6-cis-dimethylpiperidin-1-yl)ethyl)-4-fluorobenzamide [ No CAS ]
7-bromo-N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		7-Bromoimidazo[1 ,2-a]pyridine-3-carboxylic acid (Intermediate 1) (1.150 g, 4.77 mmol) was suspended in toluene (10 ml) and treated with thionyl chloride (1.045 ml, 14.32 mmol). The mixture was at 100C for 2hrs. The solvent was removed in vacuo and the solid was added to a stirred solution of 3-amino-N-(2-(2,6-cis-dimethyl piperidin-1- yl)ethyl)-4-fluorobenzamide (1.4 g, 4.77 mmol) in dry pyridine (5 ml) containing oven dried molecular sieves. The mixture was stirred at RT under nitrogen atmosphere overnight. The solvent was removed in vacuo and purification of the crude product by chromatography on silica eluting with 0-20% MeOH in DCM afforded the title compound; LC-MS: Rt 0.82 mins; MS m/z 516{M+H}+; Method 2minl_C_v003

Reference： [1]Patent: WO2014/132220,2014,A1 .Location in patent: Page/Page column 42

27
[ 1019021-93-2 ]
N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide saccharinate [ No CAS ]

Reference： [1]Patent: WO2014/132220,2014,A1
[2]Patent: WO2014/132220,2014,A1

28
[ 1019021-93-2 ]
N-(5-(2-(2,6-cis-dimethylpiperidin-1-yl)ethylcarbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide maleate [ No CAS ]

Reference： [1]Patent: WO2014/132220,2014,A1
[2]Patent: WO2014/132220,2014,A1

29
[ 1019021-93-2 ]
[ 1426530-70-2 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

30
[ 1019021-93-2 ]
C₂₀H₁₆FN₅O₃ [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

31
[ 1019021-93-2 ]
[ 1426531-90-9 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

32
[ 1019021-93-2 ]
N-(5-((2-(tert-butyl(methyl)amino)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide hydrochloride [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

33
[ 1019021-93-2 ]
N-(5-((2-(tert-butyl(methyl)amino)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

34
[ 1019021-93-2 ]
N-(5-((2-(tert-butyl(ethyl)amino)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

35
[ 1019021-93-2 ]
N-(5-((2-(2,2-dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 7901 - 7914

36
[ 1019021-93-2 ]
N-((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)-7-((2,2-difluoroethyl)amino)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Patent: WO2017/123860,2017,A1

37
[ 1019021-93-2 ]
N-((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)-7-(3,3-difluorocyclobutoxy)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Patent: WO2017/123860,2017,A1

38
[ 1019021-93-2 ]
N-((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)-7-(1,1-dioxidothiomorpholino)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Reference： [1]Patent: WO2017/123860,2017,A1

39
[ 1019021-93-2 ]
N-((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)-7-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)imidazo[1,2-a] pyridine-3-carboxamide [ No CAS ]

Reference： [1]Patent: WO2017/123860,2017,A1

40
[ 1019021-93-2 ]
(3-(((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)carbamoyl)imidazo[1,2-a]pyridin-7-yl)boronic acid [ No CAS ]

Reference： [1]Patent: WO2017/123860,2017,A1

41
[ 1019021-93-2 ]
2-(((aR)-6-aminospiro[3.3]heptan-2-yl)oxy)nicotinamide [ No CAS ]
7-bromo-N-((aR)-6-((3-carbamoylpyridin-2-yl)oxy)spiro[3.3]heptan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
99%	With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; for 1h;	Example 42C (205 mg, 0830 rnmoi) and 7-bromoirnidazojl,2-ajpyridine-3- carboxvlic acid (200 mg. 0830 mmol) were dissolved in anhydrous DMF (3 mL), thenDIEA (0.73 mL, 4.15 mmoi) was added. followed by BOP (477 mg, 1079 mmoi). The reaction mixture was stirred at rt for I h. The reaction mixture was quenched with MeOH (1.0 mL). and most for the solvent was removed under reduced pressure. To the obtained semi-solid residue, water was added portionwise with sonication (iotai volume -25 mL), which resulted in white solid formation. The mixture was stirred at rt for 2 h, filteredusing a filter cartridge, washed with water (3x5 niL), and dried in vacuum to afford intermediate 100 (385 mg. 99 % yield) as an off-white solid. MS (ESi) m/z: 469.9 (M+H). ?H-NMR (500MHz, DMSO-do) d ppm 942 (d, J=7.4 Hz, 1H), 8.76 (d, J=74 Hz, 1K). 8.45 (s, 1K), 8.27 (dd, J=5.0, 1.9 Hz, 1H), 8.17 (dd, J::::74, 2.2 I-lz, 11-1), 8.15 (d, j::i4 Hz, lI-i), 770 (br s. iH). 759 (hr s, 1K), 7.43 (dd. J::::74, 1.9 Hz, IH), 7.11 (dd,J=74, 5.0 Hz, 1H). 524 (quin, J=7.2 Hz, 1H), 4.39 (sxt, J=8.0 Hz, 1H), 2.72 - 2.65 (m, IH), 2.42 - 2.36 (rn, 1H), 229 (dd, J=i 13, 7.4 Hz, 1H), 226 - 2.22 (m, IH), 2.22 - 2.15 (rn, 2K).

Reference： [1]Patent: WO2017/123860,2017,A1 .Location in patent: Page/Page column 235; 236

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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 -

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H200	Unstable explosive
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H202	Explosive; severe projection hazard
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H316	Causes mild skin irritation
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Code	Phrase
H400	Very toxic to aquatic life
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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. 1019021-93-2 ] {[proInfo.proName]}

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[ 1019021-93-2 ] Synthesis Path-Upstream 1~2

[ 1019021-93-2 ] Synthesis Path-Downstream 1~41

Related Functional Groups of [ 1019021-93-2 ]

Bromides

Carboxylic Acids

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Other Aromatic Heterocycles

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[ 1019021-93-2 ]