(1-(4-Bromophenyl)pyrrolidin-3-yl)methanol

Base Information

• Chemical Name: (1-(4-Bromophenyl)pyrrolidin-3-yl)methanol
• CAS No.: 848317-67-9
• Molecular Formula: C11H14BrNO
• Molecular Weight: 256.142
• DSSTox Substance ID: DTXSID101279869
• Nikkaji Number: J2.438.902B
• Mol file: 848317-67-9.mol

Synonyms:848317-67-9;SCHEMBL26103184;DTXSID101279869;AKOS014197630;1-(4-Bromophenyl)-3-pyrrolidinemethanol;(1-(4-Bromophenyl)pyrrolidin-3-yl)methanol

Chemical Property of (1-(4-Bromophenyl)pyrrolidin-3-yl)methanol

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 255.02588
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CC1CO)C2=CC=C(C=C2)Br

Technology Process of (1-(4-Bromophenyl)pyrrolidin-3-yl)methanol

There total 4 articles about (1-(4-Bromophenyl)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: 94.0%

1-(4-bromophenyl)-5-carbonylpyrrolidine-3-carboxylic acid (91348-51-5) → [N-(4-bromophenyl)pyrrolidin-3-yl]methanol (848317-67-9)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 78 ℃; for 0.5h;

DOI:10.1016/j.tet.2007.01.058

Reference yield: 81.0%

N-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic acid (226881-07-8) → [N-(4-bromophenyl)pyrrolidin-3-yl]methanol (848317-67-9)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 25 ℃; for 2h;

DOI:10.1016/j.tetlet.2004.12.107

Reference yield:

4-bromo-aniline (106-40-1) → [N-(4-bromophenyl)pyrrolidin-3-yl]methanol (848317-67-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / 25 °C

2: 81 percent / NaBH₄; iodine / tetrahydrofuran / 2 h / 25 °C

With sodium tetrahydroborate; iodine; In tetrahydrofuran;

DOI:10.1016/j.tet.2007.01.058

upstream raw materials:

N-(4-bromophenyl)-2-oxo-pyrrolidine-3-carboxylic acid

1-(4-bromophenyl)-5-carbonylpyrrolidine-3-carboxylic acid

2-methylenesuccinic acid

4-bromo-aniline

Downstream raw materials:

N-(4-bromophenyl)-3-formylpyrrole