4-Amino-5-phenylpentan-1-ol

Base Information

• Chemical Name: 4-Amino-5-phenylpentan-1-ol
• CAS No.: 82590-43-0
• Molecular Formula: C11H17NO
• Molecular Weight: 179.262
• NSC Number: 304581
• ChEMBL ID: CHEMBL4547505
• Mol file: 82590-43-0.mol

Synonyms:4-Amino-5-phenylpentan-1-ol;82590-43-0;delta-Aminobenzenepentanol;Benzenepentanol, delta-amino-;NSC 304581;BRN 4669478;NSC304581;SCHEMBL8643653;CHEMBL4547505;AKOS004120864;AKOS022707539;NSC-304581;EN300-132855;Z1198157366

Chemical Property of 4-Amino-5-phenylpentan-1-ol

Chemical Property:

• Vapor Pressure: 0.000777mmHg at 25°C
• Boiling Point: 293.6°Cat760mmHg
• Flash Point: 131.4°C
• PSA: 46.25000
• Density: 1.034g/cm³
• LogP: 2.02920
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 179.131014166
• Heavy Atom Count: 13
• Complexity: 121

Purity/Quality:

4-amino-5-phenylpentan-1-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CCCO)N

Technology Process of 4-Amino-5-phenylpentan-1-ol

There total 3 articles about 4-Amino-5-phenylpentan-1-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: 83.8%

(Z)-4-Nitro-5-phenyl-pent-4-enoic acid ethyl ester (52175-26-5) → 4-Amino-5-phenyl-pentan-1-ol (82590-43-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

Reference yield:

phenylacetonitrile (140-29-4) + allylmagnesium bromide (1730-25-2) → 4-Amino-5-phenyl-pentan-1-ol (82590-43-0)

Guidance literature:

phenylacetonitrile; With diisobutylaluminium hydride; In diethyl ether; at 0 ℃; for 1h; Inert atmosphere;

allylmagnesium bromide; In diethyl ether; at -78 ℃; for 25h; Further stages; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.06.075

Reference yield:

benzaldehyde (100-52-7) → 4-Amino-5-phenyl-pentan-1-ol (82590-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 80.7 percent / piperidine acetate / toluene / Heating

2: 83.8 percent / LiAlH₄ / tetrahydrofuran / Heating

With lithium aluminium tetrahydride; piperdinium acetate; In tetrahydrofuran; toluene;

upstream raw materials:

(Z)-4-Nitro-5-phenyl-pent-4-enoic acid ethyl ester

benzaldehyde

phenylacetonitrile

allylmagnesium bromide

Downstream raw materials:

2-benzylpyrrolidine-1-carbaldehyde

2-benzylpyrrolidine