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Cas Database

5977-82-2

5977-82-2

Identification

  • Product Name:N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]cyclobutanecarboxamide

  • CAS Number: 5977-82-2

  • EINECS:

  • Molecular Weight:184.099

  • Molecular Formula: C22H23FN4OS

  • HS Code:2924299090

  • Mol File:5977-82-2.mol

Synonyms:phenylselenoamide;selenobenzoic amide;phenylselenocarboxamide;Selenobenzoesaeure-amid;selenobenzamide;selenobenzoamide;benzeneselenoamide;

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Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

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Relevant articles and documentsAll total 20 Articles be found

Palladium-catalyzed formation of 3,5-diaryl-1,2,4-selenadiazoles from arylselenocarboxamide

Al-Rubaie, Ali Z.,Yousif, Lina Z.,Al-Hamad, Ali J.H.

, p. 274 - 280 (2002)

A number of new and known arylselenocarboxamides (i.e. Ar-C(=Se)NH2; Ar=C6H5 (1), 4-BrC6H4 (2), 2-MeOC6H4 (3), 4-MeOC6H4 (4), 4-MeSC6H4/sub

Facile synthesis of selenocarboxamides from nitriles using Se/CO/H 2O under atmospheric pressure

Chen, Yahong,Tian, Fengshou,Song, Maoping,Lu, Shiwei

, p. 211 - 214 (2008)

Aromatic and aliphatic nitriles can be conveniently converted into the corresponding selenocarboxamides with Se/CO/H2O under atmospheric pressure without use of a base.

A synthetic and structural study of arylselenoamides and 2,4-diaryl-1,3- selenazoles

Hua, Guoxiong,Du, Junyi,Slawin, Alexandra M. Z.,Woollins, J. Derek

supporting information, p. 2189 - 2195 (2014/11/08)

The systematic preparation of 2,4-diaryl-1,3-selenazoles was carried out by two-component cyclization of the primary selenoamides with α-halo ketones. Selenoamides were obtained from the reaction of Woollins' reagent with arylnitrile, followed by hydrolys

Synthesis, characterization and antibacterial activity of some new ferrocenyl selenazoles and 3,5-diferrocenyl-1,2,4-selenadiazole

Al-Rubaie, Ali Z.,Al-Jadaan, Shaker A.S.,Muslim, Salah K.,Saeed, Eman A.,Ali, Eman T.,Al-Hasani, Amer K.J.,Al-Salman, Hussien N.K.,Al-Fadal, Sabaa A.M.

, p. 43 - 47 (2014/12/11)

New ferrocenyl containing selenazole derivatives were synthesized from reactions of aryl selenocarboxamide (i.e. Ar-CSe(NH2); ArC6H5 (1), 4-Br-C6H4 (2), 4-PhC6H4 (3), 4-CH3

Synthesis and antitumor-evaluation of 1,3-selenazole-containing 1,3,4-thiadiazole derivatives

Zhao, Hai-Chuan,Shi, Yan-Ping,Liu, Yu-Ming,Li, Cai-Wen,Xuan, Li-Na,Wang, Peng,Zhang, Kai,Chen, Bao-Quan

, p. 6577 - 6579 (2014/01/06)

A series of novel 1,3-selenazole-containing 1,3,4-thiadiazole derivatives bearing Schiff base moieties were synthesized and evaluated for their in vitro antiproliferative activities against human breast cancer cell MCF-7 and mouse lymphocyte leukemia cell

Synthesis of primary arylselenoamides by reaction of aryl nitriles with Woollins' reagent

Hua, Guoxiong,Li, Yang,Slawin, Alexandra M. Z.,Woollins, J. Derek

, p. 5251 - 5254 (2007/10/03)

The reaction of aryl nitriles with Woollins' reagent followed by water affords a variety of primary arylselenoamides In 60-100% yield. The first crystal structures of two primary selenoamides are reported.

Process route upstream and downstream products

Process route

benzonitrile
100-47-0

benzonitrile

selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
benzonitrile; With woollins’ reagent; In toluene; for 4h; Heating;
With water; In toluene; for 1h;
100%
With selenium; sodium tetrahydroborate; In pyridine; ethanol; Heating;
98%
benzonitrile; With woollins’ reagent; In toluene; for 8h; under 760.051 Torr; Inert atmosphere; Schlenk technique; Reflux;
With water; In toluene; at 90 ℃; for 1h; under 760.051 Torr; Inert atmosphere; Schlenk technique; Reflux;
98%
With pyridine; hydrogenchloride; sodium hydrogen selenide; In ethanol; for 3.5h; Heating;
91.5%
With sodium hydrogen selenide; In pyridine; at 80 ℃; for 1h;
90%
With hydrogenchloride; selenium; sodium tetrahydroborate; In pyridine; ethanol; water; for 2.5h; Heating;
90%
With phosphorus selenide; water; In ethanol; for 2h; Heating;
84%
With phosphorus selenide; water; In ethanol; Heating;
84%
With selenium; carbon monoxide; water; In N,N-dimethyl-formamide; at 90 ℃; for 5h; under 760.051 Torr;
80%
With selenium; carbon monoxide; water; triethylamine; In tetrahydrofuran; at 100 ℃; for 5h; under 3800 Torr;
76%
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; In dichloromethane; at 60 ℃; for 8h;
66%
With selenium; sodium tetrahydroborate; In ethanol; for 6h; Heating;
62%
With monoselenophosphate; In methanol; at 20 ℃;
50%
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; at 60 ℃; Product distribution;
With ethanol; selen(o) hydrogen; ammonia;
With selen(o) hydrogen; ammonia;
With selenium; carbon monoxide; triethylamine; In water; at 100 ℃; for 5h; under 3677.5 Torr;
With sodium hydrogen selenide; In ethanol; for 5h; Heating; other solvent;
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; In dichloromethane; at 60 ℃; for 8h;
With sodium hydrogen selenide; at 80 ℃; for 6h;
With sodium hydrogen selenide; In ethanol; Inert atmosphere;
benzonitrile
100-47-0

benzonitrile

potassium 4-methylbenzenecarboselenoate

potassium 4-methylbenzenecarboselenoate

selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 5h;
72%
2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

selenobenzamide
5977-82-2

selenobenzamide

3-Methyl-5-phenyl-3H-[1,2,4]diselenazole

3-Methyl-5-phenyl-3H-[1,2,4]diselenazole

2-Methyl-4,6-diphenyl-2H-[1,3,5]selenadiazine

2-Methyl-4,6-diphenyl-2H-[1,3,5]selenadiazine

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 2.5h;
26%
7%
selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
With woollins’ reagent; In toluene; at 130 ℃; for 1h;
13%
ethanol
64-17-5

ethanol

ammonia
7664-41-7

ammonia

benzonitrile
100-47-0

benzonitrile

selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
benzonitrile
100-47-0

benzonitrile

selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
benzonitrile; With woollins’ reagent; In toluene; for 4h; Heating;
With water; In toluene; for 1h;
100%
With selenium; sodium tetrahydroborate; In pyridine; ethanol; Heating;
98%
benzonitrile; With woollins’ reagent; In toluene; for 8h; under 760.051 Torr; Inert atmosphere; Schlenk technique; Reflux;
With water; In toluene; at 90 ℃; for 1h; under 760.051 Torr; Inert atmosphere; Schlenk technique; Reflux;
98%
With pyridine; hydrogenchloride; sodium hydrogen selenide; In ethanol; for 3.5h; Heating;
91.5%
With sodium hydrogen selenide; In pyridine; at 80 ℃; for 1h;
90%
With hydrogenchloride; selenium; sodium tetrahydroborate; In pyridine; ethanol; water; for 2.5h; Heating;
90%
With phosphorus selenide; water; In ethanol; for 2h; Heating;
84%
With phosphorus selenide; water; In ethanol; Heating;
84%
With selenium; carbon monoxide; water; In N,N-dimethyl-formamide; at 90 ℃; for 5h; under 760.051 Torr;
80%
With selenium; carbon monoxide; water; triethylamine; In tetrahydrofuran; at 100 ℃; for 5h; under 3800 Torr;
76%
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; In dichloromethane; at 60 ℃; for 8h;
66%
With selenium; sodium tetrahydroborate; In ethanol; for 6h; Heating;
62%
With monoselenophosphate; In methanol; at 20 ℃;
50%
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; at 60 ℃; Product distribution;
With ethanol; selen(o) hydrogen; ammonia;
With selen(o) hydrogen; ammonia;
With selenium; carbon monoxide; triethylamine; In water; at 100 ℃; for 5h; under 3677.5 Torr;
With sodium hydrogen selenide; In ethanol; for 5h; Heating; other solvent;
With bis(trimethylsilyl)selenide; boron trifluoride diethyl etherate; In dichloromethane; at 60 ℃; for 8h;
With sodium hydrogen selenide; at 80 ℃; for 6h;
With sodium hydrogen selenide; In ethanol; Inert atmosphere;
benzonitrile
100-47-0

benzonitrile

potassium 4-methylbenzenecarboselenoate

potassium 4-methylbenzenecarboselenoate

selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; In tetrahydrofuran; at 0 ℃; for 5h;
72%
2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

selenobenzamide
5977-82-2

selenobenzamide

3-Methyl-5-phenyl-3H-[1,2,4]diselenazole

3-Methyl-5-phenyl-3H-[1,2,4]diselenazole

2-Methyl-4,6-diphenyl-2H-[1,3,5]selenadiazine

2-Methyl-4,6-diphenyl-2H-[1,3,5]selenadiazine

Conditions
Conditions Yield
With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃; for 2.5h;
26%
7%
selenobenzamide
5977-82-2

selenobenzamide

Conditions
Conditions Yield
With woollins’ reagent; In toluene; at 130 ℃; for 1h;
13%

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