4-Phenyl-1-butanol

Base Information

• Chemical Name: 4-Phenyl-1-butanol
• CAS No.: 3360-41-6
• Molecular Formula: C10H14O
• Molecular Weight: 150.221
• Hs Code.: 29062900
• European Community (EC) Number: 222-128-8
• NSC Number: 71383
• UNII: Q5ORZ1321G
• DSSTox Substance ID: DTXSID3062994
• Nikkaji Number: J1.822H
• Wikidata: Q27287033
• Mol file: 3360-41-6.mol

Synonyms:4-phenyl-2-butanol;4-phenylbutanol

Chemical Property of 4-Phenyl-1-butanol

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.00686mmHg at 25°C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 258.8 °C at 760 mmHg
• PKA: 15.13±0.10(Predicted)
• Flash Point: 114.3 °C
• PSA: 20.23000
• Density: 0.983 g/cm³
• LogP: 2.00160
• Storage Temp.: Store below +30°C.
• Solubility.: Chloroform
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

4-Phenyl-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, C
• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 23-24/25-45-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCO
• Uses: 4-Phenyl-1-butanol is used as a reagent in the synthesis of substituted pyrrolidine-2-carboxylic acids which are used in the treatment of AT2 receptor function associated diseases. 4-Phenyl-1-butanol was used in synthesis of NK105, a paclitaxel-incorporating micellar nanoparticle formulation.

Technology Process of 4-Phenyl-1-butanol

There total 141 articles about 4-Phenyl-1-butanol 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: 98.0%

tert-butyldimethylsilyl 4-phenylbutyl ether (72064-43-8) → 4-phenyl-butan-1-ol (3360-41-6)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; dichloromethane; at 20 - 25 ℃; for 0.333333h; Flow reactor;

DOI:10.1016/j.tetlet.2017.05.008

Reference yield: 95.0%

4-Phenyl-1-butyne (16520-62-0) → 4-phenyl-butan-1-ol (3360-41-6)

Guidance literature:

With 1-hydroxytetraphenylcyclopentadienyl(tetraphenyl-2,4-cyclopentadien-1-one)-μ-hydrotetracarbonyldiruthenium(II); Ru(Cp)(PPh₂Py^tBu)₂(MeCN)PF₆; water; In isopropyl alcohol; at 70 ℃; for 48h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja307145e

Reference yield: 91.0%

C24H22O4 → 4-phenyl-butan-1-ol (3360-41-6)

Guidance literature:

With palladium diacetate; sodium hydride; In N,N-dimethyl acetamide; at 60 ℃; for 4h;

DOI:10.1021/acscatal.8b00185

upstream raw materials:

trimethylene oxide

benzylmagnesium chloride

formaldehyd

3-phenylpropylmagnesium bromide

Downstream raw materials:

4-phenylbutyl 5-phenylpentanoate

1-phenylbut-1-ene

1-Chloro-4-phenylbutane

1-Bromo-4-phenylbutane

Refernces

• 1、 Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel. "Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis". supporting information. p. 2140 - 2147. Retrieved 2021/03/06.
• 2、 Kuhwald, Conrad,Kirschning, Andreas. "Matteson Reaction under Flow Conditions: Iterative Homologations of Terpenes". supporting information. p. 4300 - 4304. Retrieved 2021/05/26.