[3-(Pyrrolidin-1-ylmethyl)phenyl]methanol

Base Information

• Chemical Name: [3-(Pyrrolidin-1-ylmethyl)phenyl]methanol
• CAS No.: 91271-59-9
• Molecular Formula: C₁₂H₁₇NO
• Molecular Weight: 191.273
• DSSTox Substance ID: DTXSID40586196
• Wikidata: Q82478274
• Mol file: 91271-59-9.mol

Synonyms:[3-(pyrrolidin-1-ylmethyl)phenyl]methanol;91271-59-9;{3-[(Pyrrolidin-1-yl)methyl]phenyl}methanol;(3-(Pyrrolidin-1-ylmethyl)phenyl)methanol;starbld0008587;SCHEMBL17594984;DTXSID40586196;MFCD08690300;AKOS000320939;MS-22501;DB-078966

Chemical Property of [3-(Pyrrolidin-1-ylmethyl)phenyl]methanol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 306.7°Cat760mmHg
• PKA: 14.33±0.10(Predicted)
• Flash Point: 144.4°C
• PSA: 23.47000
• Density: 1.112g/cm³
• LogP: 1.71260
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

[3-(pyrrolidin-1-ylmethyl)phenyl]methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)CC2=CC(=CC=C2)CO

Technology Process of [3-(Pyrrolidin-1-ylmethyl)phenyl]methanol

There total 2 articles about [3-(Pyrrolidin-1-ylmethyl)phenyl]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: 52.0%

3-((pyrrolidin-1-yl)methyl)benzoic acid (884507-41-9) → (3-(pyrrolidin-1-ylmethyl)phenyl)methanol (91271-59-9)

Guidance literature:

With hydrogenchloride; borane-THF; In tetrahydrofuran; water; at 90 ℃; Sealed tube;

Reference yield:

3-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid chloride (887922-93-2) → (3-(pyrrolidin-1-ylmethyl)phenyl)methanol (91271-59-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

upstream raw materials:

3-((pyrrolidin-1-yl)methyl)benzoic acid

3-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid chloride