1-Benzyl-3-methylpyrrolidin-3-OL

Base Information

• Chemical Name: 1-Benzyl-3-methylpyrrolidin-3-OL
• CAS No.: 96567-93-0
• Molecular Formula: C12H17NO
• Molecular Weight: 191.273
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID70595291
• Mol file: 96567-93-0.mol

Synonyms:1-BENZYL-3-METHYLPYRROLIDIN-3-OL;96567-93-0;3-Pyrrolidinol, 3-methyl-1-(phenylmethyl)-;1-benzyl-3-methyl-pyrrolidin-3-ol;MFCD11100985;SCHEMBL951796;Benzyl-3-methyl-pyrrolidin-3-ol;DTXSID70595291;SSWHTEXLCLEUBQ-UHFFFAOYSA-N;1-Benzyl-3-Methylpyrrolidine-3-ol;WDA56793;AKOS006306890;AB92133;1-benzyl-3-hydroxy-3-methylpyrrolidine;(+/-)1-benzyl-3-methylpyrrolidin-3-ol;SY097841;DB-013790;CS-0055108;EN300-98665;A845612;racemic 3-methyl-1-(phenylmethyl)-3-pyrrolidinol

Chemical Property of 1-Benzyl-3-methylpyrrolidin-3-OL

Chemical Property:

• Vapor Pressure: 0.000867mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 291.9 °C at 760 mmHg
• Flash Point: 90.2 °C
• PSA: 23.47000
• Density: 1.102 g/cm³
• LogP: 1.58120
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 191.131014166
• Heavy Atom Count: 14
• Complexity: 189

Purity/Quality:

97% ^*data from raw suppliers

1-Benzyl-3-methylpyrrolidin-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCN(C1)CC2=CC=CC=C2)O

Technology Process of 1-Benzyl-3-methylpyrrolidin-3-OL

There total 3 articles about 1-Benzyl-3-methylpyrrolidin-3-OL 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: 73.0%

N-benzyl-3-pyrrolidinone (775-16-6) + methylmagnesium bromide (75-16-1) → 1-benzyl-3-methylpyrrolidin-3-ol (96567-93-0)

Guidance literature:

N-benzyl-3-pyrrolidinone; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -20 ℃; for 3h;

With water; In tetrahydrofuran; diethyl ether; at 0 ℃;

Reference yield: 58.1%

1-benzyl-2-pyrrolidone (5291-77-0) + methylmagnesium bromide (75-16-1) → 1-benzyl-3-methylpyrrolidin-3-ol (96567-93-0)

Guidance literature:

In tetrahydrofuran; at -20 ℃; for 3h;

Reference yield:

→ 1-benzyl-3-methylpyrrolidin-3-ol (96567-93-0)

Guidance literature:

upstream raw materials:

N-benzyl-3-pyrrolidinone

methylmagnesium bromide

1-benzyl-2-pyrrolidone

Downstream raw materials:

N-(1-benzyl-3-methylpyrrolidin-3-yl)acetamide

1-Benzyl-3-(N-t-butoxycarbonylamino)-3-methylpyrrolidine

3-tert-butoxycarbonylamino-3-methyl-pyrrolidine

6-((3S,4S)-3,4-dihydroxypyrrolidin-1-yl)-2-((S)-3-hydroxy-3-methylpyrrolidin-1-yl)-4-(triifluoromethyl)nicotinonitrile