[ CAS No. 2835-78-1 ] {[proInfo.proName]}

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Quality Control of [ 2835-78-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2835-78-1 ]

SDS Specification

Alternatived Products of [ 2835-78-1 ]

Product Details of [ 2835-78-1 ]

CAS No. :	2835-78-1	MDL No. :	MFCD00017103
Formula :	C₁₃H₁₁NO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	FUADXEJBHCKVBN-UHFFFAOYSA-N
M.W :	197.23	Pubchem ID :	17817
Synonyms :

Calculated chemistry of [ 2835-78-1 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	60.72
TPSA :	43.09 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.77
Log Po/w (XLOGP3) :	2.74
Log Po/w (WLOGP) :	2.51
Log Po/w (MLOGP) :	2.34
Log Po/w (SILICOS-IT) :	2.68
Consensus Log Po/w :	2.41

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.25
Solubility :	0.111 mg/ml ; 0.000564 mol/l
Class :	Soluble
Log S (Ali) :	-3.3
Solubility :	0.099 mg/ml ; 0.000502 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.51
Solubility :	0.00612 mg/ml ; 0.000031 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.39

Safety of [ 2835-78-1 ]

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

Application In Synthesis of [ 2835-78-1 ]

* 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 [ 2835-78-1 ]

[ 2835-78-1 ] Synthesis Path-Downstream 1~30

1
[ 2243-80-3 ]
[ 2835-78-1 ]

Yield	Reaction Conditions	Operation in experiment
97%	With tin(ll) chloride In ethyl acetate for 1h; Heating;
	With iron
	With palladium; benzene Hydrogenation;

	With ethanol; hydrochloride of tin dichloride
	With ethanol; nickel; hydrazine hydrate
	With tin(ll) chloride In ethyl acetate for 2h; Heating;

Reference： [1]Tona, Merce; Sanchez-Baeza, Francisco; Messeguer, Angel [Tetrahedron, 1994, vol. 50, # 27, p. 8117 - 8126]
[2]Novak; Protiva [Collection of Czechoslovak Chemical Communications, 1959, vol. 24, p. 3966,3974]
[3]Oelschlaeger [Arzneimittel-Forschung/Drug Research, 1958, vol. 8, p. 532,536]
[4]Geigy, Koenigs [Chemische Berichte, 1885, vol. 18, p. 2402]
[5]Balcom; Furst [Journal of the American Chemical Society, 1953, vol. 75, p. 4334]
[6]Kettler; Sakowski; Wiesner; Ortmann; Jomaa; Schlitzer, Martin [Pharmazie, 2005, vol. 60, # 5, p. 323 - 327]

2
[ 2835-78-1 ]
[ 13020-57-0 ]

Reference： [1]Chemische Berichte,1891,vol. 24,p. 4047

3
[ 4455-13-4 ]
[ 2835-78-1 ]
C₁₈H₂₀NO₃S⁽¹⁺⁾*Cl^(1-) [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,1984,vol. 27,p. 1379 - 1388

4
[ 5744-59-2 ]
[ 2835-78-1 ]
1,5-Dimethyl-1H-pyrazole-3-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

5
[ 20485-41-0 ]
[ 2835-78-1 ]
4-Methyl-thiazole-5-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

6
[ 5744-56-9 ]
[ 2835-78-1 ]
2,5-Dimethyl-2H-pyrazole-3-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

7
[ 53137-27-2 ]
[ 2835-78-1 ]
2,4-Dimethyl-thiazole-5-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

8
[ 5775-88-2 ]
[ 2835-78-1 ]
4-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With polymer-bound EDC 1.) CH₂Cl₂, room temperature, 30 min, 2.) 50 deg C; Yield given. Multistep reaction;

Reference： [1]Parlow, John J.; Mischke, Deborah A.; Woodard, Scott S. [Journal of Organic Chemistry, 1997, vol. 62, # 17, p. 5908 - 5919]

9
[ 10199-57-2 ]
[ 2835-78-1 ]
5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

10
[ 320-94-5 ]
[ 2835-78-1 ]
N-(3-Benzoyl-phenyl)-2-nitro-4-trifluoromethyl-benzamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

11
[ 2835-78-1 ]
[ 5537-71-3 ]
N-(3-Benzoyl-phenyl)-3-(cyano-methyl-methyl)-benzamide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

12
[ 2835-78-1 ]
[ 137267-29-9 ]
2-Isopropyl-4-methyl-thiazole-5-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With polymer-bound EDC 1.) CH₂Cl₂, room temperature, 30 min, 2.) 50 deg C; Yield given. Multistep reaction;

Reference： [1]Parlow, John J.; Mischke, Deborah A.; Woodard, Scott S. [Journal of Organic Chemistry, 1997, vol. 62, # 17, p. 5908 - 5919]

13
[ 2835-78-1 ]
[ 128694-63-3 ]
2-Methyl-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

14
[ 2835-78-1 ]
[ 1226776-93-7 ]
[ 194289-65-1 ]

Yield	Reaction Conditions	Operation in experiment
	With polymer-bound EDC 1.) CH₂Cl₂, room temperature, 30 min, 2.) 50 deg C; Yield given. Multistep reaction;

Reference： [1]Parlow, John J.; Mischke, Deborah A.; Woodard, Scott S. [Journal of Organic Chemistry, 1997, vol. 62, # 17, p. 5908 - 5919]

15
[ 2835-78-1 ]
[ 144059-85-8 ]
4-Methyl-2-(3-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With polymer-bound EDC 1.) CH₂Cl₂, room temperature, 30 min, 2.) 50 deg C; Yield given. Multistep reaction;

Reference： [1]Parlow, John J.; Mischke, Deborah A.; Woodard, Scott S. [Journal of Organic Chemistry, 1997, vol. 62, # 17, p. 5908 - 5919]

16
[ 2835-78-1 ]
[ 18480-53-0 ]
3,4-Dichloro-isothiazole-5-carboxylic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 5908 - 5919

17
[ 2835-78-1 ]
[ 42989-85-5 ]
[ 679406-29-2 ]

Reference： [1]Tetrahedron,2004,vol. 60,p. 1773 - 1780

18
[ 52804-26-9 ]
[ 2835-78-1 ]
[ 1000887-46-6 ]

Yield	Reaction Conditions	Operation in experiment
74.3%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In water; N,N-dimethyl-formamide; at 20℃;	<Example 42> 2-(4-Adamantan-l-yl-phenoxyl)-N-(3-be?zoyl-phenyl)-acetamideTo a solution of the (4-adamantan-i-yl-phenoxy)-acetic acid (143 mg, 0.5 mmol) and (3-amino- phenyl)-phenyl-methanone (148 mg, 0.75 mmol) in DMF (5.0 mL) were added l-[3-(dimethyamino)propyl]-3- ethylcarbodmide hydrochloride (EDC) (144.0 mg, 0.75 mmol), 1-hdroxylbenzotriazole hydrate (HOBT) (101 mg, 0.75 mmol), and N,N-diisopropylethylamine (DIPEA) (0.13 ml, 0.75 mmol). The reaction mixture was stirred at room temperature overnight, and then partitioned between ethyl acetate and brine. The organic phase was dried (MgSO4 anh), and concentrated. Purification by silica gel column chromatography (n-Hexane : EtOAc :MeOH = 12 : 3: 1) gave 2^4-Admnaitan-l-yl-phenoxy)-N-(3-benzDyl-phenyl)-acetamide as a white solid (173.1 mg, 74.3% yield).1H-NMR(CDCl3, 300Hz) 8.44 (IH, s, NH), 8.02 (IH, dd, J=7.8 & 1.2 Hz aromatic), 7.81- 7.89 (3H, m, aromatic), 7.45-7.7.63 (5H, m, aromatic), 7.34 (2H, m, aromatic), .6.94 (2H, m, aromatic), 4.61 (2H, s, . OCH2CO), 2.10 (3H, m, adamantyl), 1.89-1.90 (6H, m, adamantyl), 1.72-1.82 (6H, m, adamanryl).
74.3%	With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃;	To a solution of the <strong>[52804-26-9](4-adamantan-1-yl-phenoxy)-acetic acid</strong> (143 mg, 0.5 mmol) and (3-amino-phenyl)phenyl-methanone (148 mg, 0.75 mmol) in DMF (5.0 mL) were added 1-[3-dimethylamino)propyl]-3-ethylcarbodiimide hydrochloride (EDC) (144.0 mg, 0.75 mmol), 1-hydroxybenzotriazole hydrate (HOBT) (101 mg, 0.75 mmol), and N,N-diisopropylethylamine (DIPEA) (0.13 ml, 0.75 mmol). The reaction mixture was stirred at room temperature overnight, and then partitioned between ethyl acetate and brine. The organic phase was dried (MgSO4 anh), and concentrated. Purification by silica gel column chromatography (n-Hexane:EtOAc:MeOH=12:3:1) gave 2-(4-Adamantan-1-yl-phenoxy)-N-(3-benzoyl-phenyl)-acetamide as a white solid (173.1 mg, 74.3% yield). 1H-NMR (CDCl3, 300 Hz) 8.44 (1H, s, NH), 8.02 (1H, dd, J=7.8 & 1.2 Hz aromatic), 7.81-7.89 (3H, m, aromatic), 7.45-7.7.63 (5H, m, aromatic), 7.34 (2H, m, aromatic), 6.94 (2H, m, aromatic), 4.61 (2H, s, OCH2CO), 2.10 (3H, m, adamantyl), 1.89-1.90 (6H, m, adamantyl), 1.72-1.82 (6H, m, adamantyl).

Reference： [1]Patent: WO2008/4798,2008,A1 .Location in patent: Page/Page column 42
[2]Patent: US2009/306078,2009,A1 .Location in patent: Page/Page column 32

19
[ 2835-78-1 ]
[ 55440-54-5 ]
[ 160384-01-0 ]

Yield	Reaction Conditions	Operation in experiment
	In toluene	10 EXAMPLE 10 EXAMPLE 10 N-(3-benzoylphenyl)-N'-(2-methoxy-5-chlorophenyl) urea. A mixture of 5-chloro-2-methoxyphenyl isocyanate (1.00 g, 5.4 mmol) and 3-aminobenzophenone (1.29 g, 6.5 mmol) was stirred in toluene (20 ml) for two days. The reaction was filtered and the filter cake washed with toluene. 1.9 g of the title compound was isolated.

Reference： [1]Current Patent Assignee: NEUROSEARCH A/S - US5696138, 1997, A

20
[ 2835-78-1 ]
[ 68641-49-6 ]
[ 118156-76-6 ]
[ 143390-29-8 ]

Yield	Reaction Conditions	Operation in experiment
82%	With triethylamine; In dichloromethane;	Step 2. N-(3-benzoylphenyl) 2-(3-pyridinyl)-3-tert-butoxycarbonyl-4-thiazolidinecarboxamide To a solution of 2-(3-pyridinyl)-3-tert-butoxycarbonyl-4-thiazolidinecarboxylic acid (944 mg; 1.2 eq.; 3.05 mmoL), prepared as described above, and 3-aminobenzophenone (500 mg; 2.54 mmol) in methylene chloride (0.15M) was added triethylamine (0.46 mL) at room temperature under nitrogen with stirring, followed by addition of bis(2-oxo-3-oxazolidinyl)phosphinic chloride (773 mg; 1.2 eq) and the resulting mixture was stirred at ambient temperature for 16 hours. This mixture was concentrated to an oil on a rotory evaporator which was partitioned between ethyl acetate (30 mL) and sodium bicarbonate (30 mL). The aqueous phase was extracted twice with ethyl acetate and the resulting combined organic layers were washed with brine and dried magnesium sulfate. After filtering, the solvent was removed to yield the title compound (1.43 g) as a thick orange oil. The compound was further purified by flash chromatography on silica gel to yield 1010 mg (82% yield) N-(3-benzoylphenyl) 2-(3-pyridinyl)-3-tert-butoxycarbonyl-4-thiazolidinecarboxamide as a white foam.

Reference： [1]Patent: US5120751,1992,A

21
[ 507-40-4 ]
[ 4455-13-4 ]
[ 2835-78-1 ]
[ 61085-30-1 ]

Yield	Reaction Conditions	Operation in experiment
	With hydrogenchloride; triethylamine; In methanol; dichloromethane; di-isopropyl ether;	EXAMPLE 7 4-Benzoyl-3-methylthioindolin-2-one. A solution of 30.6. (0.152 mole) of 3-aminobenzophenone in 160 ml. of methylene chloride was cooled to -78C. in a dry ice/acetone bath and treated dropwise under a nitrogen atmosphere with a solution of 16.5 g. (0.152 mole) of t-butylhypochlorite in 60 ml. of methylene chloride. After stirring for 1 hr. after addition was complete, thin layer chromatography showed no starting material. A solution of 20.2 g. (0.152 mole) of ethyl alpha-(methylthio)acetate in 60 ml. of methylene chloride was added dropwise and stirring continued at -78C. for 2.5 hr. A solution of 15.4 g. (0.152 mole) of triethylamine in 60 ml. of methylene chloride was added dropwise at -78C. and the reaction mixture allowed to warm to room temperature while stirring for 16 hr. (overnight). The dark brown solution was treated with 100 ml. of 3N hydrochloric acid and stirred for 3 hrs. at room temperature. Precipitation of a tan solid began after 15-30 minutes. Filtration gave 18.5 g. of solid, m.p. 224-228C. (dec.). The layers of the filtrate were separated, the organic phase dried over magnesium sulfate, evaporated under reduced pressure, and the residue triturated in isopropyl ether (25 g.). The gummy solid was triturated in cold methanol to give 8.3 g. of product, m.p. 222-225C. (dec.). The total yield was 26.8 g. (62%). A 7.0 g. sample recrystallized from methanol weighed 5.6 g. and melted at 235-237C. (dec.). Analysis: Calc'd for C16 H13 NO2 S: C, 67.823; H; 4.625; N, 4.943. Found: C, 67.86; H, 4.71; N, 4.85.

Reference： [1]Patent: US3975531,1976,A

22
[ 861248-58-0 ]
[ 2835-78-1 ]
4'-fluoro-biphenyl-3-sulfonic acid (3-benzoyl-phenyl)-amide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate In tetrahydrofuran; acetonitrile at 20℃;	4 Sulfonyl Chloride Coupling Procedure 3: Coupling of sulfonyl chloride to amine in tetrahydrofuran To a solution of 4-(dimethylamino)benzylamine dihydrochloride and potassium carbonate in THF (anhydrous, 3mf) was added 3-bromobenzene-1- sulfonyl chloride drop wise in THF (2 ml) with cooling and stirring, it was noted that some material was insoluble at the intended concentration, further THF(15 ml) and CH3CN (5 ml) were added. The reaction was allowed to warm to room temperature overnight with stirring. The solvent was evaporated and the resulting residue partitioned between CH2CI2 and H2O. The aqueous layer was EPO washed with further CH2Cb, the organic portions combined, and purified by flash silica column chromatography [cyclohexane/EtOAc (8:2-7:3)]. Example 4 Compound 432 4'-fluoro-biphenyl-3-sulfonic acid (3-benzoyl-phenyl)- amide 4-fluoro-biphenyl-3-sulfonic acid (3-benzoyl-phenyl)-amide was synthesized from the respective amine and sulfonyl chloride using the sulfonyl chloride procedure 3. Purification after an aqueous workup was achieved by preparative HPLC.1H NMR (300 MHz, CDCI3) δ 7.50-7.09 (m, 15H), 6.80 (m, 2H). LCMS Rt 15.50 min.; purity 87.9%; MS m/z 432.5, [M+H]+.

Reference： [1]Current Patent Assignee: ACORDA THERAPEUTICS INC - WO2007/34035, 2007, A1 Location in patent: Page/Page column 20-21; 23

23
[ 348-36-7 ]
[ 2835-78-1 ]
[ 1254354-82-9 ]

Reference： [1]Molecules,2010,vol. 15,p. 5840 - 5849

24
[ 2835-78-1 ]
[ 22161-81-5 ]

Reference： [1]Journal of the American Chemical Society,2011,vol. 133,p. 4260 - 4263

25
[ 41717-28-6 ]
[ 2835-78-1 ]
[ 899258-98-1 ]

Yield	Reaction Conditions	Operation in experiment
81%	With triethylamine; In N,N-dimethyl-formamide; for 24h;Reflux;	General procedure: A solution of 6 (4.4 mmol) was added to a solution containing 3- or 4-aminobenzophenone or (3- or 4- aminoacetophenone) (4.4 mmol) and triethylamine (1.3 ml, 8.8 mmol)in dry DMF. The reaction mixture was refluxed for 24 h and then cooled to room temperature. DMF and excess triethylamine were evaporated under reduced pressure. The residue was extracted with dichloromethane and water; the organic layer was separated then dried over anhydrous sodium sulfate, filtered and evaporated to dryness. The residue was purified using silica gel column chromatography (dichloromethane/diethylether) in a ratio of (993:7) unless otherwise indicated.

Reference： [1]Archiv der Pharmazie,2012,vol. 345,p. 401 - 406
[2]Letters in drug design and discovery,2015,vol. 12,p. 417 - 429

26
[ 2835-78-1 ]
[ 117428-49-6 ]
[ 1415919-84-4 ]

Reference： [1]Chinese Journal of Chemistry,2012,vol. 30,p. 1999 - 2008,10

27
[ 1878-91-7 ]
[ 2835-78-1 ]
[ 1427079-24-0 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 806 - 810

28
[ 2835-78-1 ]
[ 10016-20-3 ]
[ 1608150-98-6 ]

Yield	Reaction Conditions	Operation in experiment
	In methanol; water at 40℃; for 2h; Sonication;	Preparation of nanomaterials General procedure: α-CD or β-CD (1 mmol) was dissolved in 40 ml distilled water and 2ABP or 3ABP (1 mmol) in 10 ml methanol was slowly added to the CD solution. This mixture was sonicated at 40 °C for 2 h. Then the solution was refrigerated overnight at 5° C. The precipitated 2ABP/CD and 3ABP/CD inclusion complexes were filtered and the precipitate was washed with little amount of ethanol and water to remove uncomplexed ABPs and CDs, respectively.These precipitates were dried in vacuum at room temperature for two days and stored in an airtight bottle. These powder samples were using for further analysis.

Reference： [1]Rajendiran; Sankaranarayanan; Saravanan [Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2014, vol. 127, p. 52 - 60]

29
[ 2835-78-1 ]
[ 345-69-7 ]

Yield	Reaction Conditions	Operation in experiment
	Stage #1: 3-amino benzophenone With lithium tetrafluoroborate; tert.-butylnitrite; trifluoroacetic acid In acetic acid butyl ester at 60℃; Flow reactor; Stage #2: With lithium tetrafluoroborate In acetic acid butyl ester at 130℃; Flow reactor;
	Multi-step reaction with 2 steps 1: ethanol / 1 h / 0 - 20 °C / Inert atmosphere 2: boron trifluoride diethyl etherate; 4-(difluoroiodo)toluene / chlorobenzene / 36 h / 60 °C / Glovebox; Sealed tube; Inert atmosphere

Reference： [1]Park, Nathaniel H.; Senter, Timothy J.; Buchwald, Stephen L. [Angewandte Chemie - International Edition, 2016, vol. 55, # 39, p. 11907 - 11911][Angew. Chem., 2016, vol. 128, p. 12086 - 12090]
[2]Xing, Bo; Ni, Chuanfa; Hu, Jinbo [Angewandte Chemie - International Edition, 2018, vol. 57, # 31, p. 9896 - 9900][Angew. Chem., 2018, vol. 130, p. 10044 - 10048,5]

30
[ 26726-16-9 ]
[ 2835-78-1 ]
N-(3-benzoylphenyl)-5-bromofuran-2-carboxamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With pyridine In chloroform at 20℃;	3.2.2. general Procedure for the Preparation of 8-15 General procedure: A solution of the substituted aniline (18 mmol) in 30 mLof dry CHCl3 was added dropwise to a solution of 1 or 2 (9mmol) in 20 mL dry of CHCl3 and 3 mL of dry pyridine at -2°C. The resulting solution was stirred overnight. After completion of the reaction, 30 mL of 0.1 M NaHCO3 solution was added onto the solution with stirring, then the organic layer was separated and dried over Na2SO4, and the solvent was evaporated under reduced pressure. The product was washed with concentrated HCl (30 mL). Using the general procedure, the following compounds were synthesized

Reference： [1]Abu-Qatouseh, Luay; Idrees, Gada; Joshi, Rajendra; Khanfar, Monther; Mallah, Eyad; Mubarak, Mohammsad S.; Sweidan, Kamal; Tahir, Muhammad Nawaz [Letters in Organic Chemistry, 2022, vol. 19, # 4, p. 314 - 325]

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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

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. 2835-78-1 ] {[proInfo.proName]}

Quality Control of [ 2835-78-1 ]

Related Doc. of [ 2835-78-1 ]

Product Details of [ 2835-78-1 ]

Calculated chemistry of [ 2835-78-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 2835-78-1 ]

Application In Synthesis of [ 2835-78-1 ]

[ 2835-78-1 ] Synthesis Path-Downstream 1~30

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry