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Cas Database

72548-79-9

72548-79-9

Identification

  • Product Name:Benzoic acid,3-(1-pyrrolidinyl)-

  • CAS Number: 72548-79-9

  • EINECS:

  • Molecular Weight:191.23

  • Molecular Formula: C11H13NO2

  • HS Code:2933990090

  • Mol File:72548-79-9.mol

Synonyms:3-(1-Pyrrolidinyl)benzoicacid;

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Safety information and MSDS view more

  • Pictogram(s):IrritantXi

  • Hazard Codes:Xi

  • Signal Word:Warning

  • Hazard Statement:H315 Causes skin irritationH319 Causes serious eye irritation H335 May cause respiratory irritation

  • 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:3-(Pyrrolidin-1-yl)benzoicAcid
  • Packaging:50mg
  • Price:$ 45
  • Delivery:In stock
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  • Manufacture/Brand:SynQuest Laboratories
  • Product Description:3-(Pyrrolidin-1-yl)benzoic acid 97%
  • Packaging:5 g
  • Price:$ 340
  • Delivery:In stock
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  • Manufacture/Brand:Matrix Scientific
  • Product Description:3-Pyrrolidin-1-yl-benzoic acid
  • Packaging:1g
  • Price:$ 87
  • Delivery:In stock
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  • Manufacture/Brand:Matrix Scientific
  • Product Description:3-Pyrrolidin-1-yl-benzoic acid
  • Packaging:500mg
  • Price:$ 56
  • Delivery:In stock
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  • Manufacture/Brand:Matrix Scientific
  • Product Description:3-Pyrrolidin-1-yl-benzoic acid
  • Packaging:5g
  • Price:$ 321
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:3-(Pyrrolidin-1-yl)benzoicacid 97%
  • Packaging:5g
  • Price:$ 222
  • Delivery:In stock
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  • Manufacture/Brand:Crysdot
  • Product Description:3-(Pyrrolidin-1-yl)benzoicacid 97%
  • Packaging:10g
  • Price:$ 388
  • Delivery:In stock
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  • Manufacture/Brand:Chemenu
  • Product Description:3-Pyrrolidin-1-yl-benzoicacid 97%
  • Packaging:10g
  • Price:$ 367
  • Delivery:In stock
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  • Manufacture/Brand:Chemenu
  • Product Description:3-Pyrrolidin-1-yl-benzoicacid 97%
  • Packaging:5g
  • Price:$ 209
  • Delivery:In stock
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  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:3-PYRROLIDIN-1-YL-BENZOIC ACID 95.00%
  • Packaging:250MG
  • Price:$ 664.82
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Relevant articles and documentsAll total 2 Articles be found

BEZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES

-

, (2008/06/13)

The invention concerns the use of amide derivatives of formula (I) wherein: R1 and R2 are substituents such as hydroxy, C1-6alkoxy, mercapto, C1-6alkylthio, amino, C1-6alkylamino and di-(C1-6alkyl)amino; m and p are independently 0-3; R3 is C1-4alkyl; q is 0-4; and R4 is aryl or cycloalkyl; or a pharmaceutically acceptable salt thereof in the manufacture of a medicament for use in the treatment of diseases or medical conditions mediated by cytokines

(3R)-N-(1-(tert-butylcarbonylmethyl)-2,3-dihydro-2-oxo-5-(2-pyridyl)- 1H-1,4-benzodiazepin-3-yl)-N'-(3-(methylamino)phenyl)urea (YF476): A potent and orally active gastrin/CCK-B antagonist

Semple, Graeme,Ryder, Hamish,Rooker, David P.,Batt, Andrzej R.,Kendrick, David A.,Szelke, Michael,Ohta, Mitsuaki,Satoh, Masato,Nishida, Akito,Akuzawa, Shinobu,Miyata, Keiji

, p. 331 - 341 (2007/10/03)

A number of new 1,4-benzodiazepin-2-one-based gastrin/CCK-B receptor antagonists related to the archetypal analogue L-365,260, and more closely to the recently reported compound YM022, have been synthesized and evaluated for biological activity. The compounds were screened for their ability to inhibit the binding of [125I]CCK-8 to gastrin/CCK-B receptors prepared from rat brains and that of [3H]L-364,718 to CCK-A receptors from rat pancreas, and were shown to be potent and selective ligands for the gastrin/CCK-B receptor. Functional studies in vivo demonstrated the compounds to be antagonists of the receptor as evidenced by their ability to inhibit pentagastrin-induced gastric acid secretion in anesthetized rats. More extensive evaluation in viva included determination of ED50 values in the rat acid secretion model for selected compounds and an examination of the effect of these compounds on pentagastrin-induced gastric acid secretion in Heidenhain pouch dogs following oral and intravenous administration. Two compounds, i.e. (3R)-N- [1-[(tert-butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(methylamino)phenyl]urea, 15c (YF476), and (3R)-N- [1-[(tert-Butylcarbonyl)methyl]-2,3-dihydro-2-oxo-5-(2-pyridyl)-1H-1,4- benzodiazepin-3-yl]-N'-[3-(dimethylamino)phenyl]urea hydrochloride, 15d, showed potent dose-dependent effects in both models with the former showing excellent oral bioavailability and an ED50 of 21 nmol/kg po in dogs. 15e is currently under clinical investigation for the treatment of gastro-oesophagal reflux disease (GORD).

Process route upstream and downstream products

Process route

N-(3-carbomethoxyphenyl)pyrrolidine
186086-71-5

N-(3-carbomethoxyphenyl)pyrrolidine

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
With lithium hydroxide; In 1,4-dioxane; water; 1.) RT, 10 min, 2.) 40 deg C, 30 min;
80%
Methyl 3-aminobenzoate
4518-10-9

Methyl 3-aminobenzoate

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 1.) NaH, 2.) KI / 1.) DMF, 0 deg C, 14 h, 2.) DMF, 80 deg C, 72 h
2: 80 percent / LiOH*H2O / dioxane; H2O / 1.) RT, 10 min, 2.) 40 deg C, 30 min
With lithium hydroxide; sodium hydride; potassium iodide; In 1,4-dioxane; water;
meta-aminobenzoic acid
99-05-8,159139-79-4

meta-aminobenzoic acid

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: 88 percent / acetyl chloride / 1 h / Heating
2: 1.) NaH, 2.) KI / 1.) DMF, 0 deg C, 14 h, 2.) DMF, 80 deg C, 72 h
3: 80 percent / LiOH*H2O / dioxane; H2O / 1.) RT, 10 min, 2.) 40 deg C, 30 min
With lithium hydroxide; sodium hydride; acetyl chloride; potassium iodide; In 1,4-dioxane; water;
3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
N-(3-carbomethoxyphenyl)pyrrolidine
186086-71-5

N-(3-carbomethoxyphenyl)pyrrolidine

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
With lithium hydroxide; In 1,4-dioxane; water; 1.) RT, 10 min, 2.) 40 deg C, 30 min;
80%
Methyl 3-aminobenzoate
4518-10-9

Methyl 3-aminobenzoate

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
Multi-step reaction with 2 steps
1: 1.) NaH, 2.) KI / 1.) DMF, 0 deg C, 14 h, 2.) DMF, 80 deg C, 72 h
2: 80 percent / LiOH*H2O / dioxane; H2O / 1.) RT, 10 min, 2.) 40 deg C, 30 min
With lithium hydroxide; sodium hydride; potassium iodide; In 1,4-dioxane; water;
meta-aminobenzoic acid
99-05-8,159139-79-4

meta-aminobenzoic acid

3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield
Multi-step reaction with 3 steps
1: 88 percent / acetyl chloride / 1 h / Heating
2: 1.) NaH, 2.) KI / 1.) DMF, 0 deg C, 14 h, 2.) DMF, 80 deg C, 72 h
3: 80 percent / LiOH*H2O / dioxane; H2O / 1.) RT, 10 min, 2.) 40 deg C, 30 min
With lithium hydroxide; sodium hydride; acetyl chloride; potassium iodide; In 1,4-dioxane; water;
3-(pyrrolidin-1-yl)benzoic acid
72548-79-9

3-(pyrrolidin-1-yl)benzoic acid

Conditions
Conditions Yield

Global suppliers and manufacturers

Global( 23) Suppliers
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  • Amadis Chemical Co., Ltd.
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  • Kono Chem Co.,Ltd
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  • Finetech Industry Limited
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  • Antimex Chemical Limied
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  • Chemlyte Solutions
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  • Debye Scientific
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  • ENAO Chemical Co, Limited
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  • Capot Chemical Co., Ltd.
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  • Contact Tel:86-571-85586718
  • Emails:cecily.bao@capotchem.com
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  • Tianjin SPHINX SCIENTIFIC LAB.
  • Business Type:Lab/Research institutions
  • Contact Tel:+86-022-66211289
  • Emails:sales1@sphinxscientificlab.com
  • Main Products:1
  • Country:China (Mainland)
  • SHANGHAI ZZBIO CO., LTD.
  • Business Type:Lab/Research institutions
  • Contact Tel:86-21-68404353-215
  • Emails:shzzbio@vip.163.com
  • Main Products:1
  • Country:China (Mainland)
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