3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid

Base Information

• Chemical Name: 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid
• CAS No.: 460754-31-8
• Molecular Formula: C26H40N2O5
• Molecular Weight: 460.60600
• DSSTox Substance ID: DTXSID60461815
• Wikidata: Q82286238
• Mol file: 460754-31-8.mol

Synonyms:460754-31-8;3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid;(3R)-3-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]butan-2-yl]carbamoyl]octanoic acid;SCHEMBL6297555;DTXSID60461815

Chemical Property of 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid

Chemical Property:

• PSA: 99.43000
• LogP: 4.78440
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 14
• Exact Mass: 460.29372238
• Heavy Atom Count: 33
• Complexity: 618

Purity/Quality:

98% ^*data from raw suppliers

3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N1CCCC1COCC2=CC=CC=C2
• Isomeric SMILES: CCCCC[C@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1COCC2=CC=CC=C2

Technology Process of 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic Acid

There total 1 articles about 3-(R)-[1-(2-(S)-Benzyloxymethyl-pyrrolidine-1-carbonyl)-2-(S)-methyl-propylcarbamoyl)-octanoic 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:

3-(1-(2-(S)-benzyloxymethylpyrrolidine-1-carbonyl)-2-(S)-methylpropyl-carbamoyl)-octanoic acid tert-butyl ester → 3-(1-(2-benzyloxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl carbamoyl)-octanoic acid (460754-31-8)

Guidance literature:

With hydrogenchloride; trifluoroacetic acid; In dichloromethane;

Refernces

• 1、 -. "Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor". . . Retrieved 2008/06/13.