2-(Pyrrolidine-1-carbonyl)benzoic acid

Base Information

• Chemical Name: 2-(Pyrrolidine-1-carbonyl)benzoic acid
• CAS No.: 20320-43-8
• Molecular Formula: C12H12NO3-
• Molecular Weight: 219.24
• Hs Code.: 2933990090
• NSC Number: 175204
• DSSTox Substance ID: DTXSID40306295
• Wikidata: Q82053325
• Mol file: 20320-43-8.mol

Synonyms:20320-43-8;2-(pyrrolidine-1-carbonyl)benzoic acid;2-(1-pyrrolidinylcarbonyl)benzoic acid;2-(pyrrolidin-1-ylcarbonyl)benzoic acid;2-[(Pyrrolidin-1-yl)carbonyl]benzoic acid;NSC175204;Benzoic acid, 2-(1-pyrrolidinylcarbonyl)-;TimTec1_002908;Oprea1_298265;Oprea1_420073;SCHEMBL4827189;DTXSID40306295;HMS1542E04;MFCD01961578;STK085329;2-(pyrrolidine-1-carbonyl)benzoicacid;AKOS000264632;NSC-175204;BS-21881;CS-0207256;EN300-12523;2-(PYRROLIDIN-1-YLCARBONYL)BENZOICACID;F21096;SR-01000050328;2-(pyrrolidin-1-ylcarbonyl)benzoic acid, AldrichCPR;SR-01000050328-1

Chemical Property of 2-(Pyrrolidine-1-carbonyl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.77E-08mmHg at 25°C
• Boiling Point: 429.8°Cat760mmHg
• PKA: 3.58±0.36(Predicted)
• Flash Point: 213.7°C
• PSA: 57.61000
• Density: 1.294g/cm³
• LogP: 1.55870
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

2-(pyrrolidine-1-carbonyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2C(=O)O

Technology Process of 2-(Pyrrolidine-1-carbonyl)benzoic acid

There total 3 articles about 2-(Pyrrolidine-1-carbonyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

pyrrolidine (123-75-1) + phthalic anhydride (85-44-9) → 2-(pyrrolidin-1-ylcarbonyl)benzoic acid (20320-43-8)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1016/j.bmc.2008.08.006

Reference yield: 50.0%

pyrrolidine (123-75-1) + o-carboxybenzaldehyde (119-67-5) → 2-(pyrrolidin-1-ylcarbonyl)benzoic acid (20320-43-8)

Guidance literature:

With 36.64% Cd(II) immobilized on amine-functionalized magnetic nano-Fe3O4 nanocomposite; In acetonitrile; at 20 ℃; for 16h; Irradiation;

DOI:10.1002/chem.202005138

Reference yield:

→ 2-(pyrrolidin-1-ylcarbonyl)benzoic acid (20320-43-8)

Guidance literature:

Phthalsaeure-anhydrid, Pyrrolidin ;

DOI:10.1021/jm01240a015

upstream raw materials:

pyrrolidine

phthalic anhydride

o-carboxybenzaldehyde

Downstream raw materials:

C₁₅H₁₇NO₅

N-{(3-exo)-8-[(6-fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-(pyrrolidin-1-ylcarbonyl)benzamide

2-(pyrrolidine-1-carbonyl)-benzoyl azide

C₂₉H₃₂FN₇O₇

Refernces

• 1、 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. "Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition". . p. 8607 - 8618. Retrieved 2008/12/23.
• 2、 Annunziata, Rita,Cinquini, Mauro,Cozzi, Franco,Giaroni, Paola,Benaglia, Maurizio. "DIASTEREO- AND ENANTIOSELECTIVE SYNTHESIS OF 1,2-DIOLS BY VANADIUM(II) PROMOTED PINACOL CROSS COUPLING". . p. 5737 - 5758. Retrieved 2007/10/02.