[ CAS No. 3541-37-5 ] {[proInfo.proName]}

Name: 3541-37-5|Benzo[b]thiophene-2-carbaldehyde|98%
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Quality Control of [ 3541-37-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 3541-37-5 ]

Product Details of [ 3541-37-5 ]

CAS No. :	3541-37-5	MDL No. :	MFCD01075041
Formula :	C₉H₆OS	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	NXSVNPSWARVMAY-UHFFFAOYSA-N
M.W :	162.21	Pubchem ID :	736500
Synonyms :

Calculated chemistry of [ 3541-37-5 ]

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	47.21
TPSA :	45.31 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) :	-5.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.83
Log Po/w (XLOGP3) :	2.74
Log Po/w (WLOGP) :	2.71
Log Po/w (MLOGP) :	1.81
Log Po/w (SILICOS-IT) :	3.81
Consensus Log Po/w :	2.58

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.11
Solubility :	0.126 mg/ml ; 0.000774 mol/l
Class :	Soluble
Log S (Ali) :	-3.35
Solubility :	0.0731 mg/ml ; 0.000451 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.28
Solubility :	0.0851 mg/ml ; 0.000525 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.69

Safety of [ 3541-37-5 ]

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 [ 3541-37-5 ]

* 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 [ 3541-37-5 ]
Downstream synthetic route of [ 3541-37-5 ]

[ 3541-37-5 ] Synthesis Path-Upstream 1~5

1
[ 50-00-0 ]
[ 95-15-8 ]
[ 5381-20-4 ]
[ 3541-37-5 ]

Reference： [1] Synlett, 2004, # 9, p. 1575 - 1576

2
[ 3541-37-5 ]
[ 17890-56-1 ]

Reference： [1] Organic Letters, 2013, vol. 15, # 9, p. 2278 - 2281
[2] Journal of Organic Chemistry, 2007, vol. 72, # 5, p. 1634 - 1638
[3] Acta Chemica Scandinavica, 1996, vol. 50, # 1, p. 71 - 76
[4] Journal of Medicinal Chemistry, 2002, vol. 45, # 20, p. 4559 - 4570
[5] Patent: US2005/176769, 2005, A1, . Location in patent: Page/Page column 48
[6] Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744
[7] Tetrahedron Asymmetry, 2008, vol. 19, # 4, p. 500 - 511

3
[ 67-56-1 ]
[ 68-12-2 ]
[ 95-15-8 ]
[ 3541-37-5 ]
[ 22913-24-2 ]

Yield	Reaction Conditions	Operation in experiment
70%	Stage #1: With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.5 h; Stage #2: at -78 - 20℃; for 2 h;	General procedure: n-BuLi (1.67 M solution in hexane, 1.3 mL, 2.2 mmol) was added dropwise into a solution of p-bromoanisole (383 mg, 2.0 mmol) in THF (3 mL) at -78 °C for 30 min. Then, DMF (0.22 mL, 2.2 mmol) was added to the mixture and the obtained mixture was stirred at rt. After 2 h at the same temperature, THF was removed. Then, MeOH (3 mL) was added to the residue and the mixture was stirred at room temperature. After 30 min, I₂ (1523 mg, 6 mmol) and K₂CO₃ (829 mg, 6 mmol) were added at 0 °C and the obtained mixture was stirred for 22 h at rt. The reaction mixture was quenched with satd aq Na₂SO₃ (5 mL) and was extracted with CHCl₃ (3.x.20 mL). The organic layer was washed with brine and dried over Na₂SO₄ to provide methyl 4-methoxy-1-benzoate in 82percent yield. If necessary, the product was purified by short column chromatography (SiO₂:hexane:EtOAc=9:1) to give pure methyl 4-methoxybenzoate as a colorless oil.

Reference： [1] Tetrahedron, 2012, vol. 68, # 24, p. 4701 - 4709

4
[ 67-56-1 ]
[ 3541-37-5 ]
[ 22913-24-2 ]

Reference： [1] Chemical Science, 2016, vol. 7, # 7, p. 4428 - 4434

5
[ 3541-37-5 ]
[ 22913-24-2 ]

Reference： [1] Green Chemistry, 2018, vol. 20, # 17, p. 3931 - 3943

[ 3541-37-5 ] Synthesis Path-Downstream 1~41

1
[ 3541-37-5 ]
[ 2026-42-8 ]
[ 30689-68-0 ]

Reference： [1]Acta Chemica Scandinavica,1996,vol. 50,p. 71 - 76
[2]Journal of Heterocyclic Chemistry,1984,vol. 21,p. 185 - 192

2
[ 3541-37-5 ]
[ 63909-50-2 ]
[ 84258-60-6 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium hydride 1.) DMSO; Yield given. Multistep reaction;

Reference： [1]Tominaga, Yoshinori; Pratap, Ram; Castle, Raymond N.; Lee, Milton L. [Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 871 - 877]

3
[ 3541-37-5 ]
[ 17890-56-1 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium tetrahydroborate; In methanol; at 0℃; for 2h;	To a solution of Compound 2a (3.5 g, 26.1 mmol) in 25 mL of THF at -78° C. was added a solution of 2.5 M n-BuLi in hexanes (13 mL, 32.6 mmol). The reaction was warmed to 0° C. and stirred for 25 min, then 4 mL of DMF was added slowly. The solution was heated to reflux for 1 h. The reaction was cooled to rt, poured into water and extracted three times with Et2O. The combined organic extracts were washed with brine, dried (Na2SO4), filtered, and concentrated under reduced pressure at rt. The crude oil was dissolved in 25 mL of MeOH, cooled to 0° C., and NaBH4 (1.6 g, 42 mmol) was added and stirred for 2 h. After quenching with excess acetone, the mixture was concentrated, and the residue was partitioned between EtOAc and brine. The brine was extracted twice with EtOAc, and the combined organic extracts were washed twice with brine, dried (Na2SO4), filtered and concentrated under reduced pressure at rt. The crude solid was stirred with 6:1 CH2Cl2/hexane, then collected to afford Compound 2b (2.52 g) as an off-white powder: HPLC: 2.85 min.

Reference： [1]Organic Letters,2013,vol. 15,p. 2278 - 2281
[2]Journal of Organic Chemistry,2007,vol. 72,p. 1634 - 1638
[3]Acta Chemica Scandinavica,1996,vol. 50,p. 71 - 76
[4]Journal of Medicinal Chemistry,2002,vol. 45,p. 4559 - 4570
[5]Patent: US2005/176769,2005,A1 .Location in patent: Page/Page column 48
[6]Chemistry - A European Journal,2006,vol. 12,p. 2739 - 2744

4
[ 1195-14-8 ]
[ 3541-37-5 ]

Yield	Reaction Conditions	Operation in experiment
92%	With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 2.5h; Inert atmosphere;	General procedure: To a stirred solution of 9he, 9hh or 9hi (200 mmol) in dried THF (200 mL) held at -78 °C in N2atmosphere was added dropwise 1.6 M n-BuLi in n-hexane (125 mL, 200 mmol) via syringe, and theresulting solution was stirred at -78 °C for 1 h ( for 9he and 9hh) or returned to room temperaturefor 5 h (for 9hi) before dropwise addition of dried DMF (21.93 g, 300 mmol) via syringe. Thereafterthe reaction mixture was stirred at -78 °C for 0.5 h and at room temperature for another 1 h. Thereaction mixture was poured into ice-water (600 mL) while stirring and the resulting mixture wasextracted with CH2Cl2 (300 mL × 3). The combined extracts were washed with 5% brine (500 mL),dried (Na2SO4) and evaporated on a rotary evaporator to give a residue, which was purified bycolumn chromatography to afford the pure product 10he, 10hh or 10hi.
42%	With oxygen; 2,6-dimethylpyridine perchlorate In acetonitrile at 20℃; for 12h; Electrolysis;
	With cerium (IV) sulfate In acetic acid

Reference： [1]Cai, Wenqing; Wu, Jingwei; Liu, Wei; Xie, Yafei; Liu, Yuqiang; Zhang, Shuo; Xu, Weiren; Tang, Lida; Wang, Jianwu; Zhao, Guilong [Molecules, 2018, vol. 23, # 2]
[2]Li, Xue; Bai, Fang; Liu, Chaogan; Ma, Xiaowei; Gu, Chengzhi; Dai, Bin [Organic Letters, 2021, vol. 23, # 19, p. 7445 - 7449]
[3]Bobinger, Stefan; Andersson, Jan T. [Chemosphere, 1998, vol. 36, # 12, p. 2569 - 2579]

5
[ 3541-37-5 ]
[ 18107-03-4 ]
2-pyrazinecarbox-N¹-(2-benzothienylmethylene)amidrazone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	In ethanol

Reference： [1]Ranft, Donald; Seyfarth, Torsten; Schaper, Klaus-Juergen; Lehwark-Yvetot, Gudrun; Bruhn, Clemens; Buege, Axel [Archiv der Pharmazie, 1999, vol. 332, # 12, p. 427 - 430]

6
[ 17890-56-1 ]
[ 3541-37-5 ]

Yield	Reaction Conditions	Operation in experiment
	With triethylamine; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; dimethyl sulfoxide;	b) benzo[b]thiophene-2-carbaldehyde To a solution of (benzo[b]thiophen-2-yl)methanol (4.94 g) obtained in Example 23 a) in dimethyl sulfoxide (35 ml) was added triethylamine (29 ml), and a solution of sulfur trioxide-pyridine complex (14.78 g) in dimethyl sulfoxide (40 ml) was added dropwise. The mixture was stirred for 1 hr. Ice water was added to the reaction mixture, and the mixture was extracted with ethyl acetate. The organic layer was washed successively with distilled water, 1N hydrochloric acid, aqueous sodium hypochlorite solution, saturated aqueous ammonium chloride solution and saturated brine, dried over magnesium sulfate, concentrated and purified by silica gel column chromatography to give the title compound (4.41 g).
		Dimethyl sulfoxide (3.2 ml, 44.8 mmol) was added dropwise to a solution of oxayl chloride (11.2 ml, 22.4 mmol) in DCM (150 ml) at -78 C. After string for 30 minutes, a solution of crude 2 (1.8 g) in DCM (50 ml) was added and stirred for 1 hour at -78 C. To the resulting mixture, triethylamine (12.4 ml, 89.6 mmole) was added and the mixture was allowed to warmed to room temperature. After 1 hour, the mixture was poured into saturated aqueous NaHCO3 and extracted with DCM (×3). The combined organics were washed with brine, dried (NaSO4), concentrated in vacuo and purified by flash column chromatography (100% DCM) to give 1.8 g of pure 103.
	With oxygen; In diethyl ether; water; at 30℃; under 760.051 Torr; for 15h;	General procedure: 1 mmol benzyl alcohol, 1.375 g catalyst, 20 ml water, and15 ml ether were mixed in a flask (50 ml). A balloon wasused to introduce O2 at ambient pressure, keeping the temperatureat 30 C for a given time. At the end of the reaction,a few drops of diluted HCl solution (1 mol/L) wereadded to the reaction system, and the pH of water wasadjusted to 3-4. After stirring, the catalyst was transferredinto the water and the upper organic layer was isolated forGC analysis.

Reference： [1]Synlett,2013,vol. 24,p. 1707 - 1711
[2]European Journal of Organic Chemistry,2014,vol. 2014,p. 772 - 780
[3]Organic Letters,2013,vol. 15,p. 992 - 995
[4]Heterocycles,2008,vol. 75,p. 1913 - 1929
[5]ACS Catalysis,2018,vol. 8,p. 5425 - 5430
[6]Advanced Synthesis and Catalysis,2019,vol. 361,p. 2262 - 2267
[7]Chemistry - A European Journal,2016,vol. 22,p. 8814 - 8822
[8]Tetrahedron,2000,vol. 56,p. 9365 - 9373
[9]Patent: EP885869,1998,A1
[10]Patent: US2006/111430,2006,A1 .Location in patent: Page/Page column 21
[11]Journal of the Iranian Chemical Society,2015,vol. 12,p. 1213 - 1219
[12]Inorganic Chemistry,2016,vol. 55,p. 8160 - 8173
[13]ChemSusChem,2017,vol. 10,p. 3497 - 3505
[14]European Journal of Organic Chemistry,2019,vol. 2019,p. 3190 - 3194

7
[ 50-00-0 ]
[ 95-15-8 ]
[ 5381-20-4 ]
[ 3541-37-5 ]

Reference： [1]Synlett,2004,p. 1575 - 1576

8
[ 3541-37-5 ]
[ 55219-11-9 ]

Reference： [1]Journal of Medicinal Chemistry,2006,vol. 49,p. 1693 - 1705
[2]European Journal of Organic Chemistry,2019,vol. 2019,p. 3190 - 3194

9
[ 3541-37-5 ]
[ 2076-88-2 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: NaBH₄ / methanol / 20 °C 2: SOCl₂; benzotriazole / CH₂Cl₂
	Multi-step reaction with 2 steps 1: 99 percent / sodium borohydride / ethanol / 0.5 h / 0 °C 2: 71 percent / triphenylphosphine; tetrachloromethane / diethyl ether / 20 °C
	Multi-step reaction with 2 steps 1: 98 percent / NaBH₄ / methanol 2: 100 percent / SOCl₂ / toluene / 2 h / 50 °C

Reference： [1]Paizs, Csaba; Katona, Adrian; Retey, Janos [Chemistry - A European Journal, 2006, vol. 12, # 10, p. 2739 - 2744]
[2]Okuyama, Tomoyuki; Tani, Yutaka; Miyake, Kentaro; Yokoyama, Yasushi [Journal of Organic Chemistry, 2007, vol. 72, # 5, p. 1634 - 1638]
[3]Larsen, Jan; Bechgaard, Klaus [Acta Chemica Scandinavica, 1996, vol. 50, # 1, p. 71 - 76]

10
[ 3541-37-5 ]
[ 13338-63-1 ]
[ 1086820-95-2 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium methylate; In methanol; for 3h;Reflux;	[0149] A mixture of benzo[b]thiophene-2-carbaldehyde (1.62 g; 0.01 mol) and 2-(3,4,5-trimethoxyphenyl) acetonitrile (2.07 g; 0.01 mol), sodium methoxide (2.5 gm) in methanol (50 ml) were stirred at reflux temperature for 3 hours. The reaction mass was cooled to room temperature, and crushed ice was added to get solid product. The crude solid was separated by filtration and washed several times with cold methanol (3X 5 ml). The isolated yellow solid recrystallized from methanol gave (Z)-3- (benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl) acrylonitrile as a yellow crystalline product.

Reference： [1]Acta Crystallographica, Section C: Crystal Structure Communications,2007,vol. 63,p. o743-o745
[2]MedChemComm,2013,vol. 4,p. 1073 - 1078
[3]Patent: WO2014/172363,2014,A2 .Location in patent: Paragraph 0149

11
[ 3541-37-5 ]
[ 90-04-0 ]
[ 611-20-1 ]
[ 524945-67-3 ]
[ 55219-11-9 ]

Reference： [1]Journal of the Chinese Chemical Society,2011,vol. 58,p. 301 - 305

12
[ 67-56-1 ]
[ 68-12-2 ]
[ 95-15-8 ]
[ 3541-37-5 ]
[ 22913-24-2 ]

Yield	Reaction Conditions	Operation in experiment
18%; 70%		General procedure: n-BuLi (1.67 M solution in hexane, 1.3 mL, 2.2 mmol) was added dropwise into a solution of p-bromoanisole (383 mg, 2.0 mmol) in THF (3 mL) at -78 C for 30 min. Then, DMF (0.22 mL, 2.2 mmol) was added to the mixture and the obtained mixture was stirred at rt. After 2 h at the same temperature, THF was removed. Then, MeOH (3 mL) was added to the residue and the mixture was stirred at room temperature. After 30 min, I2 (1523 mg, 6 mmol) and K2CO3 (829 mg, 6 mmol) were added at 0 C and the obtained mixture was stirred for 22 h at rt. The reaction mixture was quenched with satd aq Na2SO3 (5 mL) and was extracted with CHCl3 (3×20 mL). The organic layer was washed with brine and dried over Na2SO4 to provide methyl 4-methoxy-1-benzoate in 82% yield. If necessary, the product was purified by short column chromatography (SiO2:hexane:EtOAc=9:1) to give pure methyl 4-methoxybenzoate as a colorless oil.

Reference： [1]Tetrahedron,2012,vol. 68,p. 4701 - 4709

13
[ 3541-37-5 ]
[ 87-66-1 ]
[ 1428904-26-0 ]

Yield	Reaction Conditions	Operation in experiment
76%	With hydrogenchloride In ethanol; water at 80℃; for 16h; Inert atmosphere;	7 [0055] Calixarene 7 (benzothiophene-pyrogallol calix[4]arene) was prepared by the following method. To a 250 mL round bottom flask, pyrogallol (1,2,3-trihydroxybenzene, 3.89 g, 30.8 mmol), benzo[b]thiophene-2-carboxaldehyde (5.00 g, 30 8 mmol), ethanol (100 mL), and HCl (concentrated, 10 mL) were added. A nitrogen inlet was equipped and the reaction was stirred at 80° C. for 16 hours. The reaction began as a clear solution but slowly formed a purple precipitate. After completion of the reaction, the resulting solution was filtered through a fritted funnel and the solid was washed with water (50 mL) and ethanol (50 mL). The product was dried in vacuo at 60° C. for 16 hours (yield: 6.30 g, 76%). LC-MS m/z=1081.2 g/mol

Reference： [1]Current Patent Assignee: DOW INC - US2013/157195, 2013, A1 Location in patent: Paragraph 0055; 0057

14
[ 3541-37-5 ]
[ 7677-24-9 ]
[ 5011-34-7 ]
[ 1449498-44-5 ]

Yield	Reaction Conditions	Operation in experiment
91%	With indium In water at 20℃; Green chemistry;	General Synthetic Procedure for Final Analogues (2i-5vi) General procedure: A mixture of appropriate piperazine base (i-vi, 1 mmol), aldehydes (1a-1d, 1 mmol) and around 1.1-1.3 mmol quantity of TMSCN was taken in 5-8 mL water. After stirring for a while, 10 mg Indium powder was added to the reaction mixture and the resulted reaction mass was allowed to stir at room temperature for 45 min-2.5 h. After the completion ofthe reaction as monitored by Thin Layer Chro-matography using toluene: acetone (8:2) or ethyl acetate: n-nexane (8:2) solvent system, after treatment with diethyl ether or ethyl acetate, solution was filtered and washed with water and brine followed by anhydrous sodium sulphate treatment to dry. The residue was purified by silica gel column chromatography (ethyl acetate: n-hexane) to afford compounds 2i-5vi.

Reference： [1]Patel, Rahul V.; Patel, Jigar K.; Nile, Shivraj H.; Park, Se Won [Letters in drug design and discovery, 2013, vol. 10, # 5, p. 462 - 470]

15
[ 3541-37-5 ]
[ 7677-24-9 ]
[ 30459-17-7 ]
[ 1449498-42-3 ]

Yield	Reaction Conditions	Operation in experiment
84%	With indium; In water; at 20℃;Green chemistry;	General procedure: A mixture of appropriate piperazine base (i-vi, 1 mmol), aldehydes (1a-1d, 1 mmol) and around 1.1-1.3 mmol quantity of TMSCN was taken in 5-8 mL water. After stirring for a while, 10 mg Indium powder was added to the reaction mixture and the resulted reaction mass was allowed to stir at room temperature for 45 min-2.5 h. After the completion ofthe reaction as monitored by Thin Layer Chro-matography using toluene: acetone (8:2) or ethyl acetate: n-nexane (8:2) solvent system, after treatment with diethyl ether or ethyl acetate, solution was filtered and washed with water and brine followed by anhydrous sodium sulphate treatment to dry. The residue was purified by silica gel column chromatography (ethyl acetate: n-hexane) to afford compounds 2i-5vi.

Reference： [1]Letters in drug design and discovery,2013,vol. 10,p. 462 - 470

16
[ 3541-37-5 ]
[ 590-93-2 ]
[ 7188-38-7 ]
[ 2393-23-9 ]
[ 1477486-48-8 ]

Yield	Reaction Conditions	Operation in experiment
70%	With sodium sulfate In methanol at 50℃; for 48h; Inert atmosphere;	Ugi Products 5a-d; General Procedure General procedure: To a solution of pyrrole-2-carbaldehyde 1a,b (2 mmol) in MeOH (3 mL) were added successively Na2SO4 (0.3 g), the appropriate amine 2ad (1.2 equiv), acid 3a (1.2 equiv), and isonitrile 4a,b (1.2 equiv) in a screw capped vial equipped with a magnetic stir bar. The reaction mixture was stirred at 50 °C for 2448 h in a closed vial. After completion of the reaction (as indicated on TLC), the mixture was diluted with EtOAc (100 mL) and extracted with H2O (50 mL). The organic layer was washed with brine (50 mL), dried (MgSO4) and evaporated under reduced pressure to obtain a residue, which was subjected to silica gel column chromatography (50% EtOAc in heptane) to afford the desired products 5ad (Table 1).

Reference： [1]Kumar, Amit; Vachhani, Dipak D.; Modha, Sachin G.; Sharma, Sunil K.; Parmar, Virinder S.; Van Der Eycken, Erik V. [Synthesis, 2013, vol. 45, # 18, p. 2571 - 2582]

17
[ 3541-37-5 ]
[ 198821-79-3 ]
C₁₉H₁₄N₂O₂S [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In ethanol;	General procedure: The mixture of the compound 15 (190.2 mg, 1.0 mmol) and 2-thiophenecarboxaldehyde (123.4 mg, 1.1 mol) in anhydrous ethanol (3.0 mL) was stirred over night at room temperature or reflux temperature. The corresponding imine was reduced with solid sodium borohydride (75.7 mg, 2.0 mmol) which was added slowly, the mixture was further stirred over night at room temperature. An additional ethanol (2.0 mL) was added to the reaction vessel after which 10% hydrochloric acid aqueous solution was added to quench excess sodium borohydride. The acidic mixture was basified with 25% aqueous ammonia solution. The desired product was extracted with dichloromethane (3 20 mL) and the solution was dried over sodium sulphate anhydrous. The solvent was removed under reduced pressure and the residue was purified by flash chromatography on silica gel, eluting with a gradient of 40-60% ethyl acetate in petroleum ether to give the title compound 17a1 [164.9 mg, 57.6% (from 15)] as a white solid, mp 100-101 C.

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 69,p. 32 - 43

18
[ 3541-37-5 ]
[ 198821-79-3 ]
N-(2-benzo[b]thienylmethyl)[3-methoxy-4-(5-oxazolyl)phenyl]amine [ No CAS ]

Reference： [1]European Journal of Medicinal Chemistry,2013,vol. 69,p. 32 - 43

19
[ 17890-56-1 ]
[ 3541-37-5 ]
[ 6314-28-9 ]

Yield	Reaction Conditions	Operation in experiment
	With 2,2-diphenyl-1-picrylhydrazyl; tungusten oxide/alumina; oxygen; In acetone; at 80℃; for 4h;	General procedure: A 50 mL three-necked glass flask was charged with a mixture ofDPPH (98.6 mmg, 0.25 mmol),WO3/Al2O3 (0.844 g,W: 3 mmol), alcohol(50 mmol), and 30 mL acetone. One neck was connected with awater condenser to reflux. Besides, there must be a deflated balloonon the top of the condenser to collect the evaporated acetone. And anotherneck was connected with a dropping funnel to add acetone.Then an oxygen steel cylinder was used to slowly provide the oxygenfor the reaction through the third neck with an air duct. The ventilationspeed must be adjusted according to the size of the balloon. Moreover,to maintain the airtightness of the whole reaction, the liquid level inthe dropping funnel should be kept in a certain height. Then themixturewas stirred at 80 °C for 4 h. The reaction mixture was subjected to GCanalysis to supervise the reaction process till the oxidation ended.

Reference： [1]Catalysis Communications,2014,vol. 48,p. 78 - 84
[2]Applied Organometallic Chemistry,2015,vol. 29,p. 152 - 156

20
[ 3541-37-5 ]
[ 4848-43-5 ]
N-(benzo[b]thiophen-2-ylmethyl)-2-(diphenylphosphino)ethanamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
21%	With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20℃; for 19h;Inert atmosphere;	Under nitrogen and stirring NaBH(OAc)3 (1.5 g, 6.6 mmol) is added to 2- (diphenylphosphino)ethanamine (1 g, 4.1 mmol) and thiophene-2-carbaldehyde (0.7 g, 4.1 mmol) in 1,2-dichloroethane (25 ml). After 19 h stirring at room temperature the mixture is poured upon cone. NaHC03 and extracted with ethyl acetate. The organic layers are washed with water and cone, aqueous NaCl. The aqueous phase is re-extracted with ethyl acetate. The combined organic layers are dried over MgSO4, filtered and evaporated to give 1.7 g of a yellow oil which is taken up in ethyl acetate and purified by flash chromatography over silica gel using eluent ethyl acetate. Evaporation of the solvent gives SNP- ligand N-(benzo[b]thiophen-2-ylmethyl)-2-(diphenyl-phosphino)ethanamine (0.32 g, 21%). Analytical data: 1H-NMR (CDCl3, 400 M Hz): δ 7.79 (d, 1 H), 7.68 (d, 1 H), 7.4 - 7.45 (4 H), 7.25 - 7.35 (8 H), 7.05 (s, 1 H), 4.0 (d, 2 H, CH2N), 2.85 (m, 2 H, NCH2CH2), 2.3 (m, 2 H, NCH2CH2), 1.72 (br. s., 1 H, N H) ppm. 13C-NMR (CDCl3, 400 M Hz): δ 145.1 (s), 139.8 (s), 139.7 (s), 138.4 and 138.3 (2 s), 132.8 and 132.65 (d), 128.7 and 128,5 (d), 128.4 (d), 129.01 (s, 1 C), 124.1 (d), 123.8 (d), 123.1 (d), 122.4 (d), 121.2 (d), 48.8 (t), 45.85 and 45.65 (t), 29.1 and 28.95 (t) ppm. 31P-NMR (CDCl3, 400 M Hz): - 20.9 ppm. MS (El) (%) (m/z): 375 ([M]+, 23%), 324 (7%), 318 (18%), 266 (22%), 200 (15%), 199 (17%), 186 ([HPPh2]+, 100), 185 (10%), 183 (17%), 162 (15%), 152 (14%), 147 (48%), 121 (13%), 108 (30%).
21%	With sodium tris(acetoxy)borohydride; In 1,2-dichloro-ethane; at 20℃; for 19h;Inert atmosphere;	Under nitrogen and stirring NaBH(OAc)3 (1.5 g, 6.6 mmol) is added to <strong>[4848-43-5]2-(diphenylphosphino)ethanamine</strong> (1 g, 4.1 mmol) and thiophene-2-carbaldehyde (0.7 g, 4.1 mmol) in 1,2-dichloroethane (25 ml). After 19 h stirring at room temperature the mixture is poured upon conc. NaHCO3 and extracted with ethyl acetate. The organic layers are washed with water and conc. aqueous NaCl. The aqueous phase is re-extracted with ethyl acetate. The combined organic layers are dried over MgSO4, filtered and evaporated to give 1.7 g of a yellow oil which is taken up in ethyl acetate and purified by flash chromatography over silica gel using eluent ethyl acetate. Evaporation of the solvent gives SNP-ligand N-(benzo[b]thiophen-2-ylmethyl)-2-(diphenyl-phosphino)ethanamine 1H-NMR (CDCl3, 400 MHz): δ 7.79 (d, 1H), 7.68 (d, 1H), 7.4-7.45 (4H), 7.25-7.35 (8H), 7.05 (s, 1H), 4.0 (d, 2H, CH2N), 2.85 (m, 2H, NCH2CH2), 2.3 (m, 2H, NCH2CH2), 1.72 (br. s., 1H, NH) ppm. 13C-NMR (CDCl3, 400 MHz): δ 145.1 (s), 139.8 (s), 139.7 (s), 138.4 and 138.3 (2 s), 132.8 and 132.65 (d), 128.7 and 128.5 (d), 128.4 (d), 129.01 (s, 1 C), 124.1 (d), 123.8 (d), 123.1 (d), 122.4 (d), 121.2 (d), 48.8 (t), 45.85 and 45.65 (t), 29.1 and 28.95 (t) ppm. 31P-NMR (CDCl3, 400 MHz): -20.9 ppm. MS (El) (%) (m/z): 375 ([M]+, 23%), 324 (7%), 318 (18%), 266 (22%), 200 (15%), 199 (17%), 186 ([HPPh2]+, 100), 185 (10%), 183 (17%), 162 (15%), 152 (14%), 147 (48%), 121 (13%), 108 (30%

Reference： [1]Patent: WO2015/110515,2015,A1 .Location in patent: Page/Page column 13
[2]Patent: US2016/326199,2016,A1 .Location in patent: Paragraph 0052-0055

21
[ 67-56-1 ]
[ 3541-37-5 ]
[ 22913-24-2 ]

Reference： [1]Chemical Science,2016,vol. 7,p. 4428 - 4434

22
[ 3541-37-5 ]
[ 58310-28-4 ]
1-(benzo[b]thiophen-2-yl)-2,2-difluoroethanol [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With caesium carbonate; In dimethyl amine; at 20℃;Glovebox;	In the glove box,Cs2CO3 (0.6 mmol) and benzothiophene-2-carbaldehyde (0.2 mmol) were weighed into a 25 mL reaction tube,Measure the amount of DMA (1 mL) into the reaction tube.A bromodifluoromethylphosphonium salt (0.6 mmol) was weighed,Treated with DMA (2 mL)Inhalation into the syringe.Stirred at room temperature,A DMA solution of bromodifluoromethylphosphonium salt was injected into the reaction tube at a rate of 0.5 mL / h with a syringe pump.After the injection, the reaction is over. The solution in the reaction tube was transferred to a separatory funnel, 15 mL of water was added, extracted three times with dichloromethane (10 mL x 3), and the organic phases were combined and washed three times with water (10 mL x 3). The final obtained organic phase was dried over anhydrous sodium sulfate, and the solid was filtered off, the solvent removed by rotary evaporation, on a silica gel column with n-pentane and ethyl acetate as eluent, to give the final isolated product difluoromethyl, yield 75%, purity> 99.9% (nuclear magnetic purity).

Reference： [1]Organic Letters,2016,vol. 18,p. 3206 - 3209
[2]Patent: CN106146556,2016,A .Location in patent: Paragraph 0175; 0176; 0177; 0178

23
[ 3541-37-5 ]
[ 6314-42-7 ]

Yield	Reaction Conditions	Operation in experiment
86%	With ammonia; water at 120℃; Autoclave;

Reference： [1]Murugesan, Kathiravan; Senthamarai, Thirusangumurugan; Sohail, Manzar; Sharif, Muhammad; Kalevaru, Narayana V.; Jagadeesh, Rajenahally V. [Green Chemistry, 2018, vol. 20, # 1, p. 266 - 273]

24
[ 3541-37-5 ]
[ 87350-77-4 ]
[ 996-50-9 ]
N-(benzo[b]thiophen-2-yl(4-morpholinophenyl)methyl)-N-ethylethanamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	Stage #1: benzo<b>thiophene-2-carboxaldehyde; N,N-diethyl-1,1,1-trimethylsilanamine With t-butyldimethylsiyl triflate In 1,4-dioxane for 0.05h; Inert atmosphere; Glovebox; Stage #2: N-(4-iodophenyl)morpholine With nickel(II) bromide dimethoxyethane; 2,6-bis(pyrazole)pyridine; zinc In 1,4-dioxane at 50℃; for 24h; Inert atmosphere; Sealed tube;

Reference： [1]Heinz, Christoph; Lutz, J. Patrick; Simmons, Eric M.; Miller, Michael M.; Ewing, William R.; Doyle, Abigail G. [Journal of the American Chemical Society, 2018, vol. 140, # 6, p. 2292 - 2300]

25
[ 3541-37-5 ]
[ 874473-14-0 ]
C₁₃H₁₃NOS [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2018,vol. 61,p. 1118 - 1129

26
[ 3541-37-5 ]
[ 28480-70-8 ]
3-(benzo[b]thiophen-2-yl)-1-(5-chloro-2-hydroxy-4-methylphenyl)prop-2-en-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
78%	With sodium hydroxide In ethanol at 0 - 20℃;

Reference： [1]Dalal, Aarti; Khanna, Radhika; Kamboj, Ramesh C. [Open Chemistry, 2018, vol. 16, # 1, p. 79 - 86]

27
[ 2700-30-3 ]
C₃₈H₇₄Li₆N₈S₂ [ No CAS ]
[ 3541-37-5 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 3161 - 3165

28
[ 3541-37-5 ]
[ 57676-49-0 ]
(E)-N'-[benzo(b)thiophen-2-ylmethylene]-2-(4-methoxyphenyl) acetohydrazide [ No CAS ]

Reference： [1]Pharmaceutical Chemistry Journal,2018,vol. 52,p. 424 - 437

29
[ 3541-37-5 ]
[ 30011-36-0 ]
4-benzylbenzo[4,5]thieno[2,3-c]pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
83%	With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20 - 80℃; for 9h; Molecular sieve; Inert atmosphere;

Reference： [1]Uredi, Dilipkumar; Motati, Damoder Reddy; Blake Watkins [Organic Letters, 2018, vol. 20, # 20, p. 6336 - 6339]

30
[ 3541-37-5 ]
[ 22913-24-2 ]

Reference： [1]Green Chemistry,2018,vol. 20,p. 3931 - 3943

31
[ 3541-37-5 ]
[ 21436-03-3 ]
cis‑1S,2S‑N1,N2‑bis{(benzo[b]thiophen‑2‑yl)methylene}diaminocyclohexane [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
79%	In ethanol; at 20℃; for 5h;Schlenk technique; Inert atmosphere;	A solution of benzo[b]thiophene-2-carboxaldehyde(2.76 g, 16.98 mmol) in ethanol (25 ml) is added to a solution of cis-1,2-diaminocyclohexane (0.97 g, 8.49 mmol) in ethanol (25 ml). After stirring for 1 h, at room temperature, a yellow precipitate was formed. Stirring was continued for 4 h, and then the product was filtered, washed with copious amounts of ethanol (30 ml), diethyl ether (30 ml)and dried under vacuum. Recrystallization from CH2Cl2/Et2O (1:1) afforded yellow crystals. Yield: (79%). Color (yellow); Anal. Calcd. for C24H22N2S2(1): C, 71.60; H, 5.51; N, 6.96; S, 15.93 %. Found: C, 71.77; H, 5.54; N, 7.08; S, 15.77%; 1H-NMR (ppm, CDCl3): delta: 8.39 (s, 2H, N=CH), 7.81-7.71 (m, 4H, Harom.), 7.42-7.28 (m, 6H, Harom.), 3.76 (m, 2H, N-CH cyclohex.), 2.06 (m, 4H, N-C-CH2-cyclohex.), 1.74 (m, 2H, cyclohex.), and 1.59 (m, 2H, cyclohex.); 13C NMR (CDCl3): delta : 153.8, 143.9, 140.6, 139.6, 127.0, 125.8, 124.5, 122.7, 69.6, 30.4, 23.1; FT-IR (nu/cm-1): nu(C=N) 1632(s).

Reference： [1]Transition Metal Chemistry,2020,vol. 45,p. 41 - 46

32
[ 3541-37-5 ]
[ 102831-92-5 ]
[ 2378740-08-8 ]

Yield	Reaction Conditions	Operation in experiment
82%	Stage #1: (4S)-4-isopropyl-3-(1-oxopropyl)-1,3-thiazolidine-2-thione With titanium tetrachloride In dichloromethane at 0℃; for 0.25h; Inert atmosphere; Stage #2: With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 0.666667h; Inert atmosphere; Stage #3: benzo<b>thiophene-2-carboxaldehyde diastereoselective reaction; Further stages;

Reference： [1]Choi, Hosam; Jang, Hanho; Kim, Hyoungsu; Lee, Kiyoun [Organic Letters, 2019, vol. 21, # 19, p. 7857 - 7862]

33
[ 3541-37-5 ]
[ 610-49-1 ]
(E)-N-(benzo[b]thiophen-2-ylmethylene)anthracen-1-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	With acetic acid In ethanol at 20℃;	3.2. Synthesis of Schiff base derivatives, A1-A6 and P1-P6 General procedure: All Schiff bases were synthesized according to the same procedure. 1-aminoanthracene or 1-aminopyrene (1.0mmol) and aldehyde (1.0 mmol) were dissolved in 5 mL ethanol. Acetic acid (2-3 drops) was added to themixture and stirred overnight at room temperature. The solid product was fi ltered, washed several times withethanol and dried in vacuum.

Reference： [1]Gümüş, Ayşegül; Gümüş, Selçuk; Okumuş, Veysi [Turkish Journal of Chemistry, 2020, vol. 44, # 4, p. 1200 - 1215]

34
[ 3541-37-5 ]
[ 1606-67-3 ]
[ 2489207-27-2 ]

Yield	Reaction Conditions	Operation in experiment
92%	With acetic acid In ethanol at 20℃;	3.2. Synthesis of Schiff base derivatives, A1-A6 and P1-P6 General procedure: All Schiff bases were synthesized according to the same procedure. 1-aminoanthracene or 1-aminopyrene (1.0mmol) and aldehyde (1.0 mmol) were dissolved in 5 mL ethanol. Acetic acid (2-3 drops) was added to themixture and stirred overnight at room temperature. The solid product was fi ltered, washed several times withethanol and dried in vacuum.

Reference： [1]Gümüş, Ayşegül; Gümüş, Selçuk; Okumuş, Veysi [Turkish Journal of Chemistry, 2020, vol. 44, # 4, p. 1200 - 1215]

35
[ 3541-37-5 ]
[ 38793-01-0 ]
cis-N-(benzo[b]thiophen-2-ylmethyl)-4-pentylcyclohexanamine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
14%	Stage #1: benzo<b>thiophene-2-carboxaldehyde; 4-amylcyclohexylamine With acetic acid In tetrahydrofuran at 25℃; for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride In tetrahydrofuran at 25℃; for 12h;

Reference： [1]Tan, Yu Jia; Li, Ming; Gunawan, Gregory Adrian; Nyantakyi, Samuel Agyei; Dick, Thomas; Go, Mei-Lin; Lam, Yulin [ACS Medicinal Chemistry Letters, 2021, vol. 12, # 5, p. 704 - 712]

36
[ 3541-37-5 ]
[ 5520-66-1 ]
C₂₁H₂₁NOS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
Ca. 90%	With sodium hydroxide; In ethanol; water; at 20℃; for 12h;	In 1.62g 1-2 (about 10mmol), 1.91g (about 10mmol) p-ethylamine basic ethyl ketone And 30mL of pure ethanol mixed solution, Slowly add 10 mL of sodium hydride aqueous solution (containing 2.00 g of sodium hydroxide). After 12 hours of reaction at room temperature, suction filtration. A yellow solid was obtained, washed with cold ethanol, and dried under vacuum. 3.02 g of compound 2-2 was obtained (the yield was about 90%).

Reference： [1]Patent: CN111961072,2020,A .Location in patent: Paragraph 0068-0073

37
[ 3541-37-5 ]
[ 21198-18-5 ]
2-(benzo[b]thiophen-2-ylmethylene)-N-cyclohexylhydrazine-1-carbothioamide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
77%	In ethanol for 8h;	General procedures of target compounds (2a-2l) General procedure: Corresponding aldehyde derivatives (0.002 mol) and appropriate isothiocyanatederivative (0.002 mol) in EtOH (25 mL) were refluxed for 8 h. The mixture was cooled inan ice-bath, precipitated product was filtered, dried, and recrystallized from EtOH.

Reference： [1]Özkay, Yusuf; Kaplancıklı, Zafer Asım; Kurban, Berkant; Levent, Serkan; Osmaniye, Derya; Sağlık, Begüm Nurpelin [Molecules, 2021, vol. 26, # 21]

38
[ 3541-37-5 ]
[ 62942-43-2 ]
[ 201928-67-8 ]

Yield	Reaction Conditions	Operation in experiment
48%	In tetrahydrofuran for 72h; Inert atmosphere; Reflux;

Reference： [1]Alemán, José; Rodríguez, Ricardo I.; Sicignano, Marina [Angewandte Chemie - International Edition, 2022, vol. 61, # 9][Angew. Chem., 2022, vol. 134, # 9]

39
[ 350-03-8 ]
[ 3541-37-5 ]
C₃₉H₂₉N₃O₃S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
98%	With tetrahydropyrrole In ethanol at 20℃; diastereoselective reaction;	General procedure for the synthesis of cyclohexanolderivatives (3a-3t). General procedure: The Claisen-Schmidt condensationof aryl and hetaryl carbaldehydes 2a-2e (10 mmol, 1 equiv.) in ethanol (5 mL) was performed with differentacetyl pyridine (1a-1c) or acetophenone (1d-1g)derivatives (15 mmol, 1.5 equiv.) dissolved in ethanol(2-3 mL). The reaction mixture was allowed to stir atroom temperature for an additional 10 min, during whichit turned to a homogeneous solution. Then pyrrolidine(1 equiv.) was added dropwise and the resultant mixturewas stirred at room temperature till the reaction wascompleted (3-4 h). The precipitated product wasthen filtered off. The crude product was purified byrecrystallization from chloroform-methanol (1 : 1 v/v,10 mL). Structures of all the novel compounds wereconfirmed by NMR, IR, and HRMS analysis. Thestructure of earlier reported derivatives was supported byTLC. Their spectral data were similar to those reportedearlier [22].

Reference： [1]Desai, D. H.; Deshmukh, A. G.; Patel, N. C.; Patel, P. N.; Talati, K. S. [Russian Journal of General Chemistry, 2022, vol. 92, # 4, p. 694 - 701]

40
[ 1122-54-9 ]
[ 3541-37-5 ]
C₃₉H₂₉N₃O₃S₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	With tetrahydropyrrole In ethanol at 20℃; diastereoselective reaction;	General procedure for the synthesis of cyclohexanolderivatives (3a-3t). General procedure: The Claisen-Schmidt condensationof aryl and hetaryl carbaldehydes 2a-2e (10 mmol, 1 equiv.) in ethanol (5 mL) was performed with differentacetyl pyridine (1a-1c) or acetophenone (1d-1g)derivatives (15 mmol, 1.5 equiv.) dissolved in ethanol(2-3 mL). The reaction mixture was allowed to stir atroom temperature for an additional 10 min, during whichit turned to a homogeneous solution. Then pyrrolidine(1 equiv.) was added dropwise and the resultant mixturewas stirred at room temperature till the reaction wascompleted (3-4 h). The precipitated product wasthen filtered off. The crude product was purified byrecrystallization from chloroform-methanol (1 : 1 v/v,10 mL). Structures of all the novel compounds wereconfirmed by NMR, IR, and HRMS analysis. Thestructure of earlier reported derivatives was supported byTLC. Their spectral data were similar to those reportedearlier [22].

Reference： [1]Desai, D. H.; Deshmukh, A. G.; Patel, N. C.; Patel, P. N.; Talati, K. S. [Russian Journal of General Chemistry, 2022, vol. 92, # 4, p. 694 - 701]

41
[ 100-42-5 ]
[ 3541-37-5 ]
[ 186204-66-0 ]
1-(benzo[b]thiophen-2-yl)-4,4-difluoro-2-phenylbutan-1-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With 3-(2,6-diisopropylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-3-ium perchlorate; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-κN1,κN1′]bis[3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC]iridium hexafluorophosphate; anhydrous sodium carbonate In dimethyl sulfoxide at 25℃; for 5h; Schlenk technique; Glovebox; Irradiation; Sealed tube;

Reference： [1]Wang, Jian; Zhang, Bei [Organic Letters, 2022, vol. 24, # 20, p. 3721 - 3725]

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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
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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. 3541-37-5 ] {[proInfo.proName]}

Quality Control of [ 3541-37-5 ]

Related Doc. of [ 3541-37-5 ]

Product Details of [ 3541-37-5 ]

Calculated chemistry of [ 3541-37-5 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 3541-37-5 ]

Application In Synthesis of [ 3541-37-5 ]

[ 3541-37-5 ] Synthesis Path-Upstream 1~5

[ 3541-37-5 ] Synthesis Path-Downstream 1~41

Related Functional Groups of [ 3541-37-5 ]

Aldehydes

Related Parent Nucleus of [ 3541-37-5 ]

Benzothiophenes

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 3541-37-5 ]

Related Parent Nucleus of
[ 3541-37-5 ]