4-(1-Pyrrolidinyl)benzoic acid
- CAS No.
- 22090-27-3
- Chemical Name:
- 4-(1-Pyrrolidinyl)benzoic acid
- Synonyms
- AKOS B022048;AKOS BB-8746;BUTTPARK 99\06-02;ART-CHEM-BB B022048;CHEMBRDG-BB 4003191;TIMTEC-BB SBB009596;RARECHEM AL BE 1489;OTAVA-BB BB7018780042;ASINEX-REAG BAS 12433476;p-Pyrrolidinobenzoic Acid
- CBNumber:
- CB5220094
- Molecular Formula:
- C11H13NO2
- Molecular Weight:
- 191.23
- MDL Number:
- MFCD01631241
- MOL File:
- 22090-27-3.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | 262-296 °C (D) |
|---|---|
| Boiling point | 376.9±25.0 °C(Predicted) |
| Density | 1+-.0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 4.94±0.10(Predicted) |
| form | solid |
| color | Cream |
| InChI | 1S/C11H13NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H,13,14) |
| InChIKey | KPCBFFYRSJPCJH-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(cc1)N2CCCC2 |
| CAS DataBase Reference | 22090-27-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
4-(1-Pyrrolidinyl)benzoic acid price More Price(46)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 695440 | 4-(1-Pyrrolidinyl)benzoic acid 97% | 22090-27-3 | 5g | $189 | 2026-04-30 | Buy |
| Usbiological | 288208 | 4-(1-Pyrrolidinyl)benzoic acid Asreported | 22090-27-3 | 2g | $333 | 2026-06-03 | Buy |
| Usbiological | 288208 | 4-(1-Pyrrolidinyl)benzoic acid Asreported | 22090-27-3 | 5g | $512 | 2026-06-03 | Buy |
| Usbiological | 288208 | 4-(1-Pyrrolidinyl)benzoic acid Asreported | 22090-27-3 | 10g | $699 | 2026-06-03 | Buy |
| Usbiological | 288208 | 4-(1-Pyrrolidinyl)benzoic acid Asreported | 22090-27-3 | 25g | $957 | 2026-06-03 | Buy |
4-(1-Pyrrolidinyl)benzoic acid Chemical Properties, Uses, Production
Chemical Properties
Solid
Synthesis
22090-26-2
124-38-9
22090-27-3
To the reaction flask was added 0.1 mol 1-(4-bromophenyl)pyrrolidine (reactant) and 120 mL of tetrahydrofuran (solvent), the device was sealed and stirred. Nitrogen displacement was performed to remove air and the reaction mixture was subsequently cooled to -70 °C. Under stirring, 2.5 M butyl lithium (reactant) was slowly added dropwise for 20 minutes. Next, dry carbon dioxide gas was passed to saturation. The reaction was maintained at this temperature for 2 hours. Upon completion of the reaction, the reaction solution was poured into a beaker containing 20 mL of concentrated hydrochloric acid (for pH adjustment) and 100 mL of water for hydrolysis. After separation, the aqueous phase was extracted once with 50 mL of ethyl acetate (solvent). The organic phases were combined and washed to neutrality with brine, followed by drying with anhydrous sodium sulfate (desiccant). The solvent was concentrated to give a pale yellow solid. The solid was washed twice with ethyl acetate (solvent), followed by recrystallization to give white crystals 4-(1-pyrrolidinyl)benzoic acid (product) in 90% yield and 98.0% HPLC purity.
References
[1] Patent: CN105669595, 2016, A. Location in patent: Paragraph 0121; 0122; 0123
4-(1-Pyrrolidinyl)benzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Capot Chemical Co., Ltd | +86 (0) 571 85 58 67 18 | China | 18187 | 66 | |
| Adamas Reagent, Ltd. | 400-6009262 15618770481 | yhx@titansci.com | China | 14098 | 59 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Shanghai civi chemical technology co.,Ltd | 86-21-34053660 | sale@labgogo.com | China | 9853 | 52 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
| Nanjing JinruiJiuAn Biotechnology Co., Ltd. | 025-58196018 800028039 | sales@fartop.net | China | 2227 | 55 |
| 9ding chemical ( Shanghai) Limited | 4009209199 | sales@9dingchem.com | China | 22497 | 55 |
| Shanghai Yolne Chemical Co., Ltd. | 021-62960152 | 934678158@qq.com | China | 9886 | 55 |
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