Unii-H55rrh6H7K

Base Information

• Chemical Name: Unii-H55rrh6H7K
• CAS No.: 575467-47-9
• Molecular Formula: C₁₉H₂₃F₃N₂O
• Molecular Weight: 352.4
• UNII: H55RRH6H7K
• ChEMBL ID: CHEMBL218790
• Pharos Ligand ID: 76KDRHNRQRHR
• Mol file: 575467-47-9.mol

Synonyms:UNII-H55RRH6H7K;575467-47-9;H55RRH6H7K;CHEMBL218790;NNC0038-0000-1202;NNC-0038-0000-1202;1-((S)-2-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-3-(4-trifluoromethyl-phenyl)-propenone;(2E)-1-((2S)-2-((Pyrrolidin-1-yl)methyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one;2-Propen-1-one, 1-((2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl)-3-(4-(trifluoromethyl)phenyl)-, (2E)-;Pyrrolidine, 1-((2E)-1-oxo-3-(4-(trifluoromethyl)phenyl)-2-propenyl)-2-(1-pyrrolidinylmethyl)-, (2S)-;NNC 0038-0000-1202;2-Propen-1-one, 1-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]-3-[4-(trifluoromethyl)phenyl]-, (2E)-;SCHEMBL14409596;LIWQRVPGHLYPQJ-JEJOPICUSA-N;BDBM50193199;1-[2-(Pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one;(E)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one;(S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one;(S,E)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one

Chemical Property of Unii-H55rrh6H7K

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 465.095°C at 760 mmHg
• Flash Point: 235.081°C
• PSA: 23.55000
• Density: 1.229g/cm³
• LogP: 3.68120
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 352.17624785
• Heavy Atom Count: 25
• Complexity: 478

Purity/Quality:

99% ^*data from raw suppliers

(2E)-1-[(2S)-2-(1-PYRROLIDINYLMETHYL)-1-PYRROLIDINYL]-3-[4-(TRIFLUOROMETHYL)PHENYL]-2-PROPEN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2CCCN2C(=O)C=CC3=CC=C(C=C3)C(F)(F)F
• Isomeric SMILES: C1CCN(C1)C[C@@H]2CCCN2C(=O)/C=C/C3=CC=C(C=C3)C(F)(F)F

Technology Process of Unii-H55rrh6H7K

There total 4 articles about Unii-H55rrh6H7K 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:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid (2062-26-2,87212-84-8,16642-92-5) + (R)-(-)-1-(2-pyrrolidinylmethyl)pyrrolidine (60419-23-0) → (E)-1-((R)-2-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-3-(4-trifluoromethyl-phenyl)-propenone (575467-47-9)

Guidance literature:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 3-hydroxy-3,4-dihydrobenzotriazine-4-one; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃;

(R)-(-)-1-(2-pyrrolidinylmethyl)pyrrolidine; With triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2004.03.021

Reference yield:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid (2062-26-2,87212-84-8,16642-92-5) + (S)-2-((pyrrolidin-1-yl)methyl)pyrrolidine dihydrochloride (1219963-95-7) → NNC 0038-0000-1202 (575467-47-9)

Guidance literature:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 3-hydroxy-3,4-dihydrobenzotriazine-4-one; In dichloromethane; N,N-dimethyl-formamide; at 0 ℃;

(S)-2-((pyrrolidin-1-yl)methyl)pyrrolidine dihydrochloride; With triethylamine; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃;

DOI:10.1016/j.bmc.2004.03.021

Reference yield:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid (2062-26-2,87212-84-8,16642-92-5) → (E)-1-((S)-2-((Pyrrolidin-1-yl)methyl)pyrrolidin-1-yl)-3-(4-(trifluoromethyl)phenyl)propenone (575467-47-9)

Guidance literature:

upstream raw materials:

3-<4'-(trifluoromethyl)phenyl>-2-propenoic acid

(R)-(-)-1-(2-pyrrolidinylmethyl)pyrrolidine

(S)-2-((pyrrolidin-1-yl)methyl)pyrrolidine dihydrochloride

1-(tert-butoxycarbonyl)prolin-2R-ol