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Cas Database

72752-52-4

72752-52-4

Identification

  • Product Name:Benzonitrile,2-(1-piperidinyl)-

  • CAS Number: 72752-52-4

  • EINECS:

  • Molecular Weight:186.257

  • Molecular Formula: C12H14 N2

  • HS Code:2933399090

  • Mol File:72752-52-4.mol

Synonyms:2-(Piperidin-1-yl)benzonitrile;2-Piperidinobenzonitrile

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Safety information and MSDS view more

  • Pictogram(s):R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;

  • Hazard Codes:R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;

  • Signal Word:No signal word.

  • Hazard Statement:H411 Toxic to aquatic life with long lasting effects

  • 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

Supplier and reference price

  • Manufacture/Brand
  • Product Description
  • Packaging
  • Price
  • Delivery
  • Purchase
  • Manufacture/Brand:TRC
  • Product Description:2-Piperidinobenzonitrile
  • Packaging:2.5g
  • Price:$ 110
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:2-Piperidinobenzonitrile
  • Packaging:25 g
  • Price:$ 432
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:2-(Piperidin-1-yl)benzonitrile 97%
  • Packaging:100g
  • Price:$ 556
  • Delivery:In stock
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  • Manufacture/Brand:Chemenu
  • Product Description:2-Piperidin-1-ylbenzonitrile 95+%
  • Packaging:100g
  • Price:$ 520
  • Delivery:In stock
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  • Manufacture/Brand:Apolloscientific
  • Product Description:2-(Piperidin-1-yl)benzonitrile
  • Packaging:25g
  • Price:$ 392
  • Delivery:In stock
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:2-PIPERIDINO BENZONITRILE 95.00%
  • Packaging:5MG
  • Price:$ 633.99
  • Delivery:In stock
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:2-PIPERIDINO BENZONITRILE 95.00%
  • Packaging:10MG
  • Price:$ 631.85
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:2-PIPERIDINO BENZONITRILE 95.00%
  • Packaging:1MG
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  • Manufacture/Brand:Ambeed
  • Product Description:2-Piperidinobenzonitrile 98%
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  • Manufacture/Brand:Ambeed
  • Product Description:2-Piperidinobenzonitrile 98%
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Relevant articles and documentsAll total 11 Articles be found

SNAr reaction in aqueous medium in the presence of mixed organic and inorganic bases

Shelke, Nilesh B.,Ghorpade, Ramrao,Pratap, Ajay,Tak, Vijay,Acharya

, p. 31226 - 31230 (2015/04/22)

N-Arylation of amines with fluorobenzonitriles in aqueous medium is described. A mixture of N,N-diisopropylethyl amine and Na2CO3 (1:1) is found to achieve maximum conversion by refluxing for 3 hours in water. The product can be easily isolated by solvent extraction.

Rhodium(iii)-catalyzed olefinic C-H alkynylation of enamides at room temperature

Feng, Chao,Feng, Daming,Loh, Teck-Peng

supporting information, p. 9865 - 9868 (2014/08/18)

Rh(iii)-catalyzed C-H olefinic alkynylation of enamides for the stereospecific construction of synthetically useful Z-type enynamides is reported. This protocol displays good functionality tolerance and operational simplicity thus providing an alternative synthetic opportunity for the ease of access to specific 1,3-enyne derivatives.

Efficient construction of C=N double bonds via acceptorless dehydrogenative coupling

Sun, Xiang,Hu, Yu,Nie, Shao-Zhen,Yan, Yun-Yun,Zhang, Xue-Jing,Yan, Ming

supporting information, p. 2179 - 2184 (2013/10/01)

The efficient construction of C=N double bonds has been achieved by the Ir-catalyzed intramolecular acceptorless dehydrogenative cross-coupling of tertiary amines and amides. An iridium/2-hydroxypyridine complex was identified as the highly efficient catalyst. A number of quinazolinone derivatives was prepared in excellent yields. An iridium-mediated C-H activation mechanism is proposed. This finding provides an unprecedented strategy for the direct imidation of sp3 C-H bonds.

Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition

Sato, Ippei,Morihira, Koichiro,Inami, Hiroshi,Kubota, Hirokazu,Morokata, Tatsuaki,Suzuki, Keiko,Iura, Yosuke,Nitta, Aiko,Imaoka, Takayuki,Takahashi, Toshiya,Takeuchi, Makoto,Ohta, Mitsuaki,Tsukamoto, Shin-ichi

, p. 8607 - 8618 (2008/12/23)

In our previous study on discovering novel types of CCR3 antagonists, we found a fluoronaphthalene derivative (1) that exhibited potent CCR3 inhibitory activity with an IC50 value of 20 nM. However, compound 1 also inhibited human cytochrome P450 2D6 (CYP2D6) with an IC50 value of 400 nM. In order to reduce its CYP2D6 inhibitory activity, we performed further systematic structural modifications on 1. In particular, we focused on reducing the number of lipophilic moieties in the biphenyl part of 1, using C log D7.4 values as the reference index of lipophilicity. This research led to the identification of N-{(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-3-(piperidin-1-ylcarbonyl)isonicotinamide 1-oxide (30) which showed comparable CCR3 inhibitory activity (IC50 = 23 nM) with much reduced CYP2D6 inhibitory activity (IC50 = 29,000 nM) compared with 1.

Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses

-

Page/Page column 32, (2010/10/20)

This invention relates to poly-substituted derivatives of the N-(benzyl)phenylacetamide type, pharmaceutical compositions comprising same, therapeutic uses thereof, more particularly in the fields of human and animal health. This invention also relates to a process for the preparation of such derivatives.

Process route upstream and downstream products

Process route

piperidine
110-89-4

piperidine

2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
With N-Formylpiperidine; at 160 - 170 ℃; for 64h;
84%
piperidine; 2-Chlorobenzonitrile; for 16h; Heating / reflux;
With hydrogenchloride; In diethyl ether;
With sodium hydroxide; In water; ethyl acetate;
68%
at 220 - 225 ℃; for 6h;
64.5 g
piperidine
110-89-4

piperidine

2-fluorobenzonitrile
394-47-8

2-fluorobenzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
With potassium carbonate; In dimethyl sulfoxide; at 90 ℃;
90%
With sodium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 100 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;
88%
With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃;
85%
With potassium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 12h;
carbon monoxide
201230-82-2

carbon monoxide

N-(but-3-enyl)-2-cyanobenzenamine
157428-86-9

N-(but-3-enyl)-2-cyanobenzenamine

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

2-(4-Methyl-2,3-dihydro-pyrrol-1-yl)-benzonitrile

2-(4-Methyl-2,3-dihydro-pyrrol-1-yl)-benzonitrile

N-(2-cyanophenyl)-3-methylpyrrolidine-2-carbaldehyde

N-(2-cyanophenyl)-3-methylpyrrolidine-2-carbaldehyde

N-2-cyanophenyl-5-(N'-2-cyanophenyl-3-methylpyrrolidin-2-yl)-1,2,3,4-tetrahydropyridine

N-2-cyanophenyl-5-(N'-2-cyanophenyl-3-methylpyrrolidin-2-yl)-1,2,3,4-tetrahydropyridine

Conditions
Conditions Yield
With hydrogen; dirhodium tetraacetate; triphenylphosphine; In ethyl acetate; under 20685.9 Torr; Further byproducts given;
0.06 g
piperidine
110-89-4

piperidine

2-<(trifluoromethanesulfonyl)oxy>benzonitrile
138313-23-2

2-<(trifluoromethanesulfonyl)oxy>benzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
at 90 ℃; for 2h;
70%
salicylonitrile
611-20-1

salicylonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: Et3N / CH2Cl2
2: 70 percent / 2 h / 90 °C
With triethylamine; In dichloromethane; 1: Substitution / 2: Arylation;
2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
2-Chlorbenzonitril, Piperidin / Cu;
piperidine
110-89-4

piperidine

2-Chlorobenzonitrile
873-32-5

2-Chlorobenzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
With N-Formylpiperidine; at 160 - 170 ℃; for 64h;
84%
piperidine; 2-Chlorobenzonitrile; for 16h; Heating / reflux;
With hydrogenchloride; In diethyl ether;
With sodium hydroxide; In water; ethyl acetate;
68%
at 220 - 225 ℃; for 6h;
64.5 g
piperidine
110-89-4

piperidine

2-fluorobenzonitrile
394-47-8

2-fluorobenzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
With potassium carbonate; In dimethyl sulfoxide; at 90 ℃;
90%
With sodium carbonate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl acetamide; at 100 ℃; for 3h; Reagent/catalyst; Solvent; Temperature;
88%
With potassium carbonate; In N,N-dimethyl-formamide; at 70 ℃;
85%
With potassium carbonate; In N,N-dimethyl-formamide; at 140 ℃; for 12h;
carbon monoxide
201230-82-2

carbon monoxide

N-(but-3-enyl)-2-cyanobenzenamine
157428-86-9

N-(but-3-enyl)-2-cyanobenzenamine

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

2-(4-Methyl-2,3-dihydro-pyrrol-1-yl)-benzonitrile

2-(4-Methyl-2,3-dihydro-pyrrol-1-yl)-benzonitrile

N-(2-cyanophenyl)-3-methylpyrrolidine-2-carbaldehyde

N-(2-cyanophenyl)-3-methylpyrrolidine-2-carbaldehyde

N-2-cyanophenyl-5-(N'-2-cyanophenyl-3-methylpyrrolidin-2-yl)-1,2,3,4-tetrahydropyridine

N-2-cyanophenyl-5-(N'-2-cyanophenyl-3-methylpyrrolidin-2-yl)-1,2,3,4-tetrahydropyridine

Conditions
Conditions Yield
With hydrogen; dirhodium tetraacetate; triphenylphosphine; In ethyl acetate; under 20685.9 Torr; Further byproducts given;
0.06 g
piperidine
110-89-4

piperidine

2-<(trifluoromethanesulfonyl)oxy>benzonitrile
138313-23-2

2-<(trifluoromethanesulfonyl)oxy>benzonitrile

2-(piperidin-1-yl)benzonitrile
72752-52-4

2-(piperidin-1-yl)benzonitrile

Conditions
Conditions Yield
at 90 ℃; for 2h;
70%

Global suppliers and manufacturers

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  • Amadis Chemical Co., Ltd.
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  • Chemwill Asia Co., Ltd.
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  • Kono Chem Co.,Ltd
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  • Hangzhou Dingyan Chem Co., Ltd
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