[ CAS No. 7312-10-9 ] {[proInfo.proName]}

Name: 7312-10-9|5-Bromobenzo[b]thiophene-2-carboxylic acid|95%
Brand: Ambeed
SKU: A578814
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Quality Control of [ 7312-10-9 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 7312-10-9 ]

Product Details of [ 7312-10-9 ]

CAS No. :	7312-10-9	MDL No. :	MFCD01929338
Formula :	C₉H₅BrO₂S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ONNFNEFYXIPHCA-UHFFFAOYSA-N
M.W :	257.10	Pubchem ID :	737737
Synonyms :

Calculated chemistry of [ 7312-10-9 ] Expand+

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	56.48
TPSA :	65.54 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) :	-5.39 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.93
Log Po/w (XLOGP3) :	3.49
Log Po/w (WLOGP) :	3.36
Log Po/w (MLOGP) :	2.68
Log Po/w (SILICOS-IT) :	3.66
Consensus Log Po/w :	3.02

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.08
Solubility :	0.0214 mg/ml ; 0.0000834 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.55
Solubility :	0.00726 mg/ml ; 0.0000282 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-3.57
Solubility :	0.0689 mg/ml ; 0.000268 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.95

Safety of [ 7312-10-9 ]

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

Application In Synthesis of [ 7312-10-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 7312-10-9 ]

[ 7312-10-9 ] Synthesis Path-Downstream 1~56

1
[ 7312-10-9 ]
[ 4923-87-9 ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 264 - 281
[2]Journal of the Chemical Society,1957,p. 2624,2628

2
[ 101774-45-2 ]
[ 7312-10-9 ]

Reference： [1]Journal of the Chemical Society,1957,p. 2624,2628

4
[ 7312-10-9 ]
[ 189061-44-7 ]
[ 644988-73-8 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 3963 - 3966

5
[ 7312-10-9 ]
[ 21103-33-3 ]
[ 644988-72-7 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2004,vol. 14,p. 3963 - 3966

6
[ 7312-10-9 ]
[ 2060-64-2 ]

Reference： [1]Journal of the Chemical Society,1957,p. 2624,2628

7
[ 7312-10-9 ]
[ 6530-09-2 ]
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-bromo-1-benzothiophene-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With 2-(7-aza-1H-benzotriazol-1-yl)-1,1,3,3-tetratetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In DMF (N,N-dimethyl-formamide);	133.7 mg (0.52 mmol) [5-BROM-L-BENZOTHIOPHEN-2-CARBONSaeURE] (Beispiel [13A),] 155.4 mg (0. [78 MMOL) (R)-3-AMINOCHINUKLIDIN-DIHYDROCHLORID,] 296.7 mg (0.78 mmol) HATU, 369.8 mg (2.86 mmol) N, N-Diisopropylethylamin und 1. 5 mL DMF werden gemaess der allgemeinen Arbeitsvorschrift C umgesetzt. Das Reaktion- gemisch wird durch praeparative HPLC gereinigt. Das Produkt wird in Acetonitril geloest und mit einem Ueberschuss an 1 N Salzsaeure versetzt. Schliesslich wird das Solvens entfernt. Es werden 175 mg (84 % d. Th. ) der Titelverbindung isoliert. ['H-NMR] (200 MHz, [DMSO-D6)] : [5] = 9.44 (br. s, 1H), 8.95 (d, [1H),] 8.30-8. 10 (m, 2H), 8.03 (d, 1H), 7.60 (m, 1H), 4.38-4. 20 (m, 1H), 3.80-3. 55 (m, 1H), 3.42-3. 05 (m, [5H),] 2.25-2. 00 (m, 2H), 1.98-1. 62 (m, 3H). HPLC (Methode [1)] : Rt = 4.1 min. MS (ESIpos) : m/z = 365 (M+H) [+] (freie Base).

Reference： [1]Patent: WO2003/104227,2003,A1 .Location in patent: Page 52

8
[ 7312-11-0 ]
[ 7312-10-9 ]

Yield	Reaction Conditions	Operation in experiment
95%	With potassium hydroxide; In water; for 3h;Reflux;	General procedure: The solution of compound 2a-2n (1.1 mmol) in water (10 mL)was stirred and then potassium hydroxide pellets (5.4 mmol) wereadded, which was refluxed for 3 h. The aqueous layer was thenacidified to pH 1 with 1M hydrochloric acid solution. The aqueouslayer was extracted with dichloromethane (3 x 15 mL). The combinedorganic layers were dried with sodium sulfate, filtered, andthe solvents were removed under reduced pressure to afford thetitle compound 3a-3n [31,34].
94%		Ausgehend von 2.7 g (9.96 mmol) [5-BROM-L-BENZOTHIOPHEN-2-CARBONSaeUREMETHYL-] ester (aus Beispiel 12A) werden nach der allgemeinen Arbeitsvorschrift B 2.41 g (94 % d. Th. ) des gewuenschten Produkts erhalten. H-NMR (400 MHz, [DMSO-D6)] : [8] = 13.67 (br. s, 1H), [8.] 27 (m, 1H), 8.10 (s, [1H),] [8.] 05 (d, 1H), 7.66 (dd, 1H). HPLC (Methode [1)] : Rt = 4.5 min.
180 mg	With lithium hydroxide monohydrate; In methanol; water; at 75℃; for 2h;	A mixture of 200 mg of methyl 5-bromobenzo[b]thiophene-2-carboxylate, 105 mg of lithium hydroxide monohydrate,2 ml of water, and 6 ml of methanol was stirred for 2 hours at 75C. After being cooled to room temperature,the reaction mixture was concentrated under reduced pressure. Water was added to the residues, and the residue waswashed three times with tert-butyl methyl ether. Concentrated hydrochloric acid was added to the aqueous layer, andthen extraction was performed three times by using chloroform. The collected organic layer was washed with saturatedsaline, dried over magnesium sulfate, and then concentrated under reduced pressure, thereby obtaining 180 mg of 5-bromobenzo[b]thiophene-2-carboxylic acid (hereinafter, described as a "compound 11 of the present invention 1H-NMR (CDCl3) delta: 8.07 (s, 1H), 8.07 (d, 1H, J = 1.9 Hz), 7.76 (d, 1H, J = 8.7 Hz), 7.58 (dd, 1H, J = 1.9, 8.7 Hz)

Reference： [1]European Journal of Medicinal Chemistry,2019,vol. 174,p. 236 - 251
[2]Patent: WO2003/104227,2003,A1 .Location in patent: Page 51
[3]Journal of Medicinal Chemistry,2016,vol. 59,p. 264 - 281
[4]ACS Medicinal Chemistry Letters,2015,vol. 6,p. 1010 - 1014
[5]Patent: EP2926660,2015,A1 .Location in patent: Paragraph 0258
[6]Bioorganic and Medicinal Chemistry Letters,2016,vol. 26,p. 4684 - 4686

9
[ 7312-10-9 ]
[ 13771-72-7 ]

Yield	Reaction Conditions	Operation in experiment
		Dissolve 5-bromo-benzo[&]thiophene-2-carboxylic acid (21.2 g, 82.5 mmol) inTHF (150 mL). Cool to O0C with an ice bath. Add 2M BH3 dimethyl sulfide complex in THF (82.5 mL). Stir to room temperature over 2 hours. Quench by careful addition of water. Partition between ether and saturated NaHCO3, wash with water, brine, dry, and concentrate. Purify via column chromatography eluting with 3:1 hexanes: ethyl acetate to afford a white solid (10.3 g): 1H NMR (CDCl3) delta 7.87 (m, IH), 7.67 (d, IH), 7.41 (dd, IH), 7.15 (m, IH), 4.94 (d, 2H), 1.91 (t, IH).

Reference： [1]Patent: WO2006/68991,2006,A1 .Location in patent: Page/Page column 63

10
[ 7312-10-9 ]
[ 115-11-7 ]
tert-butyl 5-bromo-1-benzothiophene-2-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With sulfuric acid; In dichloromethane; ethyl acetate;	EXAMPLE 274C tert-butyl 5-bromo-1-benzothiophene-2-carboxylate A mixture of Example 274B and concentrated H2SO4 (0.5 mL) in dichloromethane (100 mL) saturated with isobutylene at room temperature was stirred for 4 hours and concentrated. The concentrate was purified by flash column chromatography on silica gel with 2% ethyl acetate/hexanes to provide the desired product.
	With sulfuric acid; In dichloromethane; ethyl acetate;	Example 274C tert-butyl 5-bromo-1-benzothiophene-2-carboxylate A mixture of Example 274B and concentrated H2SO4 (0.5 mL) in dichloromethane (100 mL) saturated with isobutylene at room temperature was stirred for 4 hours and concentrated. The concentrate was purified by flash column chromatography on silica gel with 2% ethyl acetate/hexanes to provide the desired product.

Reference： [1]Patent: US2002/55631,2002,A1
[2]Patent: US2002/86887,2002,A1

11
[ 1423-64-9 ]
[ 7312-10-9 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydroxide; bromine; In 1,4-dioxane; ethyl acetate;	d) With stirring, 5.4 ml of bromine was added dropwise to 5N sodium hydroxide aqueous solution which has been cooled to -5 C. to 0 C. To this was added dropwise, at a temperature of -5 C. or below, a 50 ml dioxane solution of 2-acetyl-5-bromobenzo[b]thiophene obtained in the above step c). The resulting mixture was stirred for 30 minutes at room temperature and then for 30 minutes at 50 C. With ice cooling, the resulting reaction solution was adjusted to pH 2 with concentrated hydrochloric acid, and crystals thus precipitated were collected by filtration and washed with water. The crystals thus obtained were dissolved in ethyl acetate, and the solution was dried and concentrated. Crystals thus precipitated were collected by filtration and washed with toluene to obtain 6.6 g of 5-bromobenzo[b]thiophene-2-carboxylic acid. mp: 238-241 C. IR (KBr): 1671, 1554, 1518, 1443 cm-1 1 H-NMR (CDCl3) delta: 7.57 (1H, dd, J=8.6 and 1.8Hz), 7.82 (1H, d, J=8.6Hz), 8.00 (1H, s), 8.07 (1H, d, J=1.8Hz)
	With sodium hydroxide; bromine; In 1,4-dioxane;	d Synthesis of 5-bromobenzo[b]thiophene-2-carboxylic acid: 1.25 ml of bromine was slowly added to 10 ml of 5N aqueous NaOH solution with stirring and the resulting solution was cooled to -5 C.-0 C. At the same temperature, a solution of 1.66 g of 1-(5-bromobenzo[b]thiophene-2-yl)ethan-1-one in 15 ml of 1,4-dioxane was slowly added thereto. The reaction solution was stirred for 30 minutes at room temperature and then for 30 minutes at 50 C., cooled, poured into ice-water and then adjusted to pH 2 with concentrated hydrochloric acid. The resulting precipitate was filtered, washed several times with water, dried and then purified with silica gel column chromatography [eluent: ethyl acetate/n-hexane(1:2)]. The fractions containing the desired product were combined and then evaporated to obtain 1.42 g of the title compound as a white solid. 1H NMR(CDCl3, ppm): delta 8.03(m, 1H), 7.92(s, 1H), 7.76(m, 1H), 7.50(m, 1H)

Reference： [1]Patent: US5576343,1996,A
[2]Patent: US6201006,2001,B1

12
[ 7312-10-9 ]
[ 13771-68-1 ]

Yield	Reaction Conditions	Operation in experiment
	With thionyl chloride; In ethanol;	e) 6.4 g of <strong>[7312-10-9]5-bromobenzo[b]thiophene-2-carboxylic acid</strong> obtained in the above step d) was suspended in 250 ml of ethanol. With cooling on an ice bath and with stirring, 4.45 g of thionyl chloride was added dropwise to the suspension prepared above, followed by refluxing under heating for 1 hour. With ice cooling, 8.15 g of thionyl chloride was further added dropwise to the resulting mixture, followed by refluxing under heating 2 hours. The resulting reaction solution was concentrated and adjusted to pH 9 with saturated sodium bicarbonate aqueous solution. Crystals thus precipitated were collected by filtration and dried to obtain 7.0 g of ethyl <strong>[7312-10-9]5-bromobenzo[b]thiophene-2-carboxylate</strong>. A portion of the thus obtained compound was recrystallized from methanol to obtain needle crystals. mp: 94-95 C. 1 H-NMR (CDCl3) delta: 1.42 (3H, t, J=7.0Hz), 4.41 (2H, q, J=7.0Hz), 7.54 (1H, dd, J=8.8 and 1.8Hz), 7.73 (1H, d, J=8.8Hz), 7.96 (1H, s), 8.01 (1H, d)
	In methanol; thionyl chloride;	e Synthesis of ethyl <strong>[7312-10-9]5-bromobenzo[b]thiophene-2-carboxylate</strong>: In a 100 ml flask, 1.42 g of <strong>[7312-10-9]5-bromobenzo[b]thiophene-2-carboxylic acid</strong> and 25 ml of methanol were introduced and then stirred. The resulting suspension was cooled in ice bath and 0.6 ml of thionyl chloride was slowly added thereto. The reaction solution was refluxed for one hour and then cooled. After 1.1 ml of thionyl chloride was added, the reaction solution was refluxed for further 2 hours, cooled and then adjusted to pH 9 with saturated NaHCO3 solution. The resulting precipitate was filtered, dried and then purified with silica gel column chromatography [eluent: ethyl acetate/n-hexane(1:3)]. The fractions containing the desired product were combined and then evaporated to obtain 1.3 g of the title compound as a white solid. 1H NMR(CDCl3, ppm): delta 8.01(m, 1H), 7.96(s, 1H), 7.73(m, 1H), 7.54(m, 1H), 4.41(q, 2H, J=7.0 Hz), 1.42(t, 3H, J=7.0 Hz)

Reference： [1]Patent: US5576343,1996,A
[2]Patent: US6201006,2001,B1

13
[ 872-50-4 ]
[ 7312-10-9 ]
[ 105191-14-8 ]

Yield	Reaction Conditions	Operation in experiment
	CuCN;	f Synthesis of ethyl 5-cyanobenzo[b]thiophene-2-carboxylate: In a 50 ml flask, 1.3 g of <strong>[7312-10-9]5-bromobenzo[b]thiophene-2-carboxylate</strong> and 1.02 g of CuCN were introduced and 20 ml of N-methyl-2-pyrrolidone was then added thereto. The mixture was stirred and the resulting suspension was refluxed under nitrogen atmosphere for 2 hours at 200 C. The reaction solution was cooled, poured into ice-water, vigorously stirred and then filtered to remove the unsoluble material. The filtrate was then extracted with ethyl acetate. The extract was evaporated to removed the solvent, and the residue was then purified with silica gel column chromatography [eluent: ethyl acetate/n-hexane(1:3)]. The fractions containing the desired product were combined and evaporated to obtain 330 mg of the title compound as a white solid. 1H NMR(CDCl3, ppm): delta 8.21(m, 1H), 8.09(s, 1H), 7.97(m, 1H), 7.70(m, 1H), 4.45(q, 2H, J=7.0 Hz), 1.43(t, 3H, J=7.0 Hz)

Reference： [1]Patent: US6201006,2001,B1

14
[ 7312-10-9 ]
[ 878798-84-6 ]
5-bromo-N-{(1S)-1-[({3-[[(2-chloro-4-fluorophenyl)sulfonyl](methyl)amino]propyl}amino)carbonyl]-3-methylbutyl}-1-benzothiophene-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
70%	With 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 3-hydroxy-3,4-dihydrobenzotriazine-4-one; In dichloromethane; at 20℃;	To a dichloromethane (1.1 ml_) solution of Lambda/1-{3-[[(2-chloro-4- fluorophenyl)sulfonyl](methyl)amino]propyl}-L-leucinamide (45.4mg, 0.115mmol) was added <strong>[7312-10-9]5-bromo-1-benzothiophene-2-carboxylic acid</strong> (36mg, 0.138mmol), HOOBT (0.4 mg, 0.002 mmol), and NMM (0.06ml, 0.575mmol). The mixture was stirred several minutes whereupon EDCHCI (26.5mg, 0.138 mmol) was added. The reaction mixture was stirred overnight at RT. The solution was washed with 10% citric acid and brine, dried (MgSO4), filtered and concentrated to a solid. Purification by silica gel column chromatography (30%-90% ethyl acetate/hexane) gave the product as a white solid in 70% yield (51 mg): MS (m/z): 634 (M+H).

Reference： [1]Patent: WO2006/29210,2006,A2 .Location in patent: Page/Page column 57

15
[ 7312-10-9 ]
[ 1141488-36-9 ]
(S)-3-{5-[(5-Bromo-benzo[b]thiophene-2-carbonyl)-amino]pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester hydrochloride [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
48.3%		To a suspension of <strong>[7312-10-9]5-bromobenzothiophene-2-carboxylic acid</strong> (109 mg, 0.42 mmol) in dichloromethane (5 mL) was added oxalyl chloride (2M in dichloromethane, 0.5 mL) and one drop of DMF. The mixture was stirred at room temperature for 1 hr and solvents were evaporated. The residue was diluted with benzene (10 mL) and then concentrated to dryness. The residue was dissolved in dichloromethane (5 mL) and treated with (S)-3-(5-amino-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid ethyl ester (106 mg, 0.42 mmol) in dichloromethane (5 mL) containing triethylamine (0.1 mL). The mixture was stirred at room temperature for 1 hr and solvents were evaporated. The residue was extracted with ethyl acetate and saturated ammonium chloride solution. Organic layer was washed with brine and dried over sodium sulfate. Solvents were evaporated and the residue was treated with methanol (1 mL) and hydrogen chloride in ether. Solvents were evaporated and the residue was treated with ether. The precipitate was filtered and washed with ether to give a light pink solid as (S)-3-{5-[(5-bromo-benzo[b]thiophene-2-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester hydrochloride (100 mg, 48.3% yield). LCMS for C21H21BrN4O3S calcd. (m/e) 488, observed 489 (M+H).

Reference： [1]Patent: US2010/145047,2010,A1 .Location in patent: Page/Page column 27-28

16
[ 7312-10-9 ]
[ 1236000-51-3 ]
[ 1236000-73-9 ]

Yield	Reaction Conditions	Operation in experiment
91%	With O-<[cyano(ethoxycarbonyl)methylene]amino>-1,1,3,3-tetramethyluronium tetrafluoroborate; triethylamine; In dichloromethane; at 0 - 20℃;Inert atmosphere;	Intermediate 29 5-bromo-N-methyI-N-({4-[(trifluoromethyl)oxy]phenyl}methyl)-1-benzothiophene-2-carboxamide. In a round bottom flask under argon atmosphere were placed 0.3 g of 5-bromo-1- benzothiophene-2-carboxylic acid, 0.459 g of TOTU (O-[(ethoxycarbonyl)cyanomethyl- enamino]-/V,/V,/V,/V-tetramethyluronium tetrafluoroborate) and 0.423 g of Intermediate 1 in12 ml of CH2CI2. The mixture was cooled to 0 0C and 0.49 ml of Et3N were added. The reaction mixture was stirred overnight at room temperature, then diluted with CH2CI2, washed with 1 N NaOH and brine, dried over Na2SO4, filtered and concentrated to dryness under vacuum. The residue was purified by chromatography on silica gel eluting withEtOAc-Hex 10:90 to 20:80 to afford 0.471 mg (91%) of the titled compound as a pale yellow oil.1H NMR (delta, ppm, DMSO-d6-80C): 8.11 (s, 1 H); 7.94 (d, 1 H); 7.73 (s, 1 H); 7.55 (dd, 1 H);7.42 (d, 2H); 7.33 (d, 2H); 4.75 (s, 2H); 3.12 (s, 3H). [ES MS] m/z: 445 (MH+).

Reference： [1]Patent: WO2010/81904,2010,A1 .Location in patent: Page/Page column 44

17
[ 7312-10-9 ]
[ 1020576-09-3 ]
[ 1093631-53-8 ]

Yield	Reaction Conditions	Operation in experiment
10%		12b) 5-[4-([3-(2,6-Dichlorophenyl)-5-(l-methylethyl)-4- isoxazolyl]methyl}oxy)phenyl]-l-benzothiophene-2-carboxylic acid <n="102"/>3-(2,6-Dichlorophenyl)-5-(l-methylethyl)-4-([4-(4,4,5,5-tetramethyl-l,3,2- dioxaborolan-2-yl)phenyl]oxy}methyl)isoxazole (0.178 g, 0.36 mmol), 5-bromo-l- benzothiophene-2-carboxylic acid (0.114 g, 0.44 mmol), tetrakistriphenylphosphine palladium (0) (0.030 g, 0.026 mmol), sodium carbonate (2 M) (0.8 mL, 1.6 mmol), and 1 ,2-dimethoxyethane (15 mL) were combined and heated at 85 0C with stirring under a nitrogen atmosphere for 4 hours. The reaction mixture was allowed to cool at room temperature. To the reaction mixture was added water and the pH of the aqueous mixture was adjusted to 2-3 (litmus paper) with 1 N hydrochloric acid. The acidic aqueous mixture was extracted with ethyl acetate. The organic phase was separated, washed with brine, dried over magnesium sulfate, filtered, and the filtrate was concentrated to give the crude product as a brown-orange oil. The crude product was purified by reverse phase preparative HPLC using a gradient of acetonitrile: water (50:50 to 100:0) with 0.05% trifluoroacetic acid as a modifier to give a white amorphous solid which was dried at 50 0C under high vacuum to give 0.019 g (10%) of 5-[4-([3-(2,6-Dichlorophenyl)-5-(l-methylethyl)-4- isoxazolyl]methyl}oxy)phenyl]-l-benzothiophene-2-carboxylic acid as a white amorphous solid. 1H NMR (J6-DMSO, 400 MHz): delta 13.53 (br s, IH), 8.21 (s, IH), 8.13 (s, IH), 8.08 (d, J = 8 Hz, IH), 7.75 (d, J = 8 Hz, IH), 7.61 (m, 5H), 6.92 (d, J = 9 Hz, 2H), 4.81 (s, 2H), 3.49 (septet, J = 7 Hz , IH), 1.36 (d, J = 7 Hz, 6H). ES- LCMS m/z 538 (M + H)+.

Reference： [1]Patent: WO2008/157270,2008,A1 .Location in patent: Page/Page column 100-101

18
[ 7312-10-9 ]
5-bromo-N-phenylbenzo[b]thiophene-2-carboxamide 1,1-dioxide [ No CAS ]