(2-Aminophenyl)(pyrrolidin-1-yl)methanone

Base Information

• Chemical Name: (2-Aminophenyl)(pyrrolidin-1-yl)methanone
• CAS No.: 52745-20-7
• Molecular Formula: C11H14 N2 O
• Molecular Weight: 190.245
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID20351905
• Wikidata: Q82128731
• ChEMBL ID: CHEMBL1415280
• Mol file: 52745-20-7.mol

Synonyms:52745-20-7;(2-Aminophenyl)(pyrrolidin-1-yl)methanone;2-(pyrrolidin-1-ylcarbonyl)aniline;(2-Amino-phenyl)-pyrrolidin-1-yl-methanone;2-(pyrrolidine-1-carbonyl)aniline;(2-aminophenyl)-pyrrolidin-1-ylmethanone;[2-(Pyrrolidin-1-ylcarbonyl)phenyl]amine;MFCD00034732;(2-aminophenyl)pyrrolidin-1-ylmethanone;[2-(pyrrolidin-1-ylcarbonyl)phenyl]amine hydrochloride;SMR000280061;ChemDiv2_002642;Oprea1_175289;MLS000717094;MLS004820281;N-(2-aminobenzoyl)pyrrolidine;SCHEMBL1578279;1-(2-aminobenzoyl)-pyrrolidine;CHEMBL1415280;DTXSID20351905;HMS1376I02;HMS2629C15;STK723029;2-(1-pyrrolidinylcarbonyl)phenylamine;AKOS000111737;AB86621;BS-28534;BB 0220217;CS-0208319;FT-0723563;EN300-09445;C78280;AQ-090/41705296;Z56040670;F1723-0016

Chemical Property of (2-Aminophenyl)(pyrrolidin-1-yl)methanone

Chemical Property:

• Vapor Pressure: 7.44E-06mmHg at 25°C
• Boiling Point: 376.1°Cat760mmHg
• Flash Point: 181.2°C
• PSA: 46.33000
• Density: 1.195g/cm³
• LogP: 2.02390
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 211

Purity/Quality:

98%Min ^*data from raw suppliers

(2-aAminophenyl)(pyrrolidin-1-yl)methanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)C2=CC=CC=C2N

Technology Process of (2-Aminophenyl)(pyrrolidin-1-yl)methanone

There total 5 articles about (2-Aminophenyl)(pyrrolidin-1-yl)methanone 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: 94.0%

(2-nitrophenyl)(pyrrolidin-1-yl)methanone (169330-07-8) → (2-aminophenyl)(pyrrolidin-1-yl)methanone (52745-20-7)

Guidance literature:

With copper acetylacetonate; sodium tetrahydroborate; In ethanol; for 2h; Ambient temperature;

Reference yield: 81.0%

pyrrolidine (123-75-1) + anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → (2-aminophenyl)(pyrrolidin-1-yl)methanone (52745-20-7)

Guidance literature:

With water; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1021/jacs.7b11422

Reference yield: 45.0%

pyrrolidine (123-75-1) + 2-Nitrobenzyl alcohol (612-25-9) → (2-aminophenyl)(pyrrolidin-1-yl)methanone (52745-20-7)

Guidance literature:

With caesium carbonate; In isopropyl alcohol; at 110 ℃; for 16h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c7ob02919e

upstream raw materials:

(2-nitrophenyl)(pyrrolidin-1-yl)methanone

2-nitrobenzyl chloride

pyrrolidine

anthranilic acid

Downstream raw materials:

(2,3-dihydro-1H-pyrrol-1-yl)(phenyl)methanone