((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol

Base Information

• Chemical Name: ((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol
• CAS No.: 99735-47-4
• Molecular Formula: C13H19NO
• Molecular Weight: 205.3
• DSSTox Substance ID: DTXSID50548987
• Wikidata: Q82427856
• Mol file: 99735-47-4.mol

Synonyms:((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol;99735-47-4;[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methanol;[(R)-1-((R)-1-Phenylethyl)pyrrolidin-3-yl]methanol;(R)-1-[(R)-1-Phenylethyl]-3-pyrrolidinemethanol;{(3R)-1-[(1R)-1-Phenylethyl]pyrrolidin-3-yl}methanol;MFCD12828251;SCHEMBL7291562;DTXSID50548987;RQTYGPRJDFTUGU-VXGBXAGGSA-N;ZDA73547;AKOS015840242;AKOS015901631;AS-30074;CS-0207902;(R)-1-[(R)-alpha-methylbenzyl]-3-pyrrolidinemethanol;(1R,3R)-[1-(1-phenylethyl)-pyrrolidin-3-yl]-methanol;{(3R)-1-[(1R)-1-phenylethyl]-3-pyrrolidinyl}methanol;(3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl) pyrrolidine;(3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl)pyrrolidine

Chemical Property of ((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol

Chemical Property:

• Melting Point: 88℃
• Boiling Point: 281.1±15.0 °C(Predicted)
• PKA: 14.93±0.10(Predicted)
• PSA: 23.47000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 1.99970
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 205.146664230
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

((R)-1-((R)-1-Phenylethyl)pyrrolidin-3-yl)methanol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)N2CCC(C2)CO
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)N2CC[C@H](C2)CO

Technology Process of ((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol

There total 8 articles about ((R)-1-((R)-1-phenylethyl)pyrrolidin-3-yl)methanol 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: 87.0%

methyl (3R)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylate (99735-45-2) → (3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl)pyrrolidine (99735-47-4)

Guidance literature:

With LiAlH; In tetrahydrofuran; for 24h; Heating;

DOI:10.1021/jm00393a004

Reference yield: 85.0%

(R)-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylic acid → (3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl)pyrrolidine (99735-47-4)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 5 - 60 ℃;

Reference yield:

(3RS)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylic acid (915302-94-2,96449-93-3,99735-44-1) → (3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl)pyrrolidine (99735-47-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / p-TsOH / 24 h / Heating

2: 87 percent / LiAlH / tetrahydrofuran / 24 h / Heating

With toluene-4-sulfonic acid; In tetrahydrofuran;

DOI:10.1021/jm00393a004

upstream raw materials:

methyl (3R)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylate

(S)-1-phenyl-ethylamine

(3RS)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylic acid

Dimethyl itakonate

Downstream raw materials:

(R)-1-methyl-3-hydroxymethylpyrrolidine

benzyl (R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

trans-3-[N'-(6-benzyloxy-7-oxo-1,6-diaza-bicyclo[3.2.1]octane-2-carbonyl)-hydrazinocarbonyl]-(R)-pyrrolidin-1-carboxylic acid tert-butyl ester

(R)-methyl-1-tert-butoxycarbonyl-pyrrolidine-3-carboxylate