1-(4-Methoxyphenyl)butan-1-ol

Base Information

• Chemical Name: 1-(4-Methoxyphenyl)butan-1-ol
• CAS No.: 22135-50-8
• Molecular Formula: C₁₁H₁₆O₂
• Molecular Weight: 180.247
• DSSTox Substance ID: DTXSID001300516
• Nikkaji Number: J2.796.063D
• Mol file: 22135-50-8.mol

Synonyms:1-(4-methoxyphenyl)butan-1-ol;22135-50-8;1-(4-Methoxyphenyl)-1-butanol;Benzenemethanol,4-methoxy-a-propyl-;1-p-methoxyphenyl-1-butanol;SCHEMBL5488204;DTXSID001300516;4-Methoxy-alpha-propylbenzenemethanol;AKOS009158117;SB84721;AS-62323;CS-0035824;W12543

Chemical Property of 1-(4-Methoxyphenyl)butan-1-ol

Chemical Property:

• Vapor Pressure: 0.000377mmHg at 25°C
• Melting Point: 3-4 °C(lit.)
• Refractive Index: n20/D 1.526(lit.)
• Boiling Point: 160-161 °C8 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 29.46000
• Density: 1.042 g/mL at 25 °C(lit.)
• LogP: 2.01020
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 128

Purity/Quality:

98%Min ^*data from raw suppliers

1-(4-methoxyphenyl)butan-1-ol ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C1=CC=C(C=C1)OC)O

Technology Process of 1-(4-Methoxyphenyl)butan-1-ol

There total 3 articles about 1-(4-Methoxyphenyl)butan-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: 98.0%

→ 1-(4-(methoxy)phenyl)butan-1-ol (22135-50-8,110480-90-5,110480-91-6)

Guidance literature:

Reference yield: 66.0%

n-butyl magnesium bromide (693-03-8) + 4-methoxy-benzaldehyde (123-11-5) → 1-(4-(methoxy)phenyl)butan-1-ol (22135-50-8,110480-90-5,110480-91-6)

Guidance literature:

In tetrahydrofuran; at -40 - 20 ℃; for 11h; Sealed tube; Inert atmosphere;

DOI:10.1021/acschemneuro.1c00762

Reference yield:

4-methoxy-benzaldehyde (123-11-5) + propyl bromide (106-94-5) → 1-(4-(methoxy)phenyl)butan-1-ol (22135-50-8,110480-90-5,110480-91-6)

Guidance literature:

propyl bromide; With magnesium; In diethyl ether; for 1h; Inert atmosphere; Reflux;

4-methoxy-benzaldehyde; In diethyl ether; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1002/ejoc.201403032

upstream raw materials:

4-methoxy-benzaldehyde

propyl bromide

n-butyl magnesium bromide

Downstream raw materials:

N,N-dibutyl-4-methoxylaniline

1-(4-methoxy-3-nitrophenyl)-butan-1-one

2-hydroxy-1-(4-methoxyphenyl)butan-1-one

1-(4-methoxyphenyl)-1-butanone

Refernces

• 1、 -. "Aminophenone compounds as well as preparation method and application thereof". Paragraph 0047-0050; 0208-0212. . Retrieved 2021/02/06.
• 2、 -. "Aromatic amides as potentiators of bioefficacy of anti-infective drugs". Page/Page column 10. . Retrieved 2008/06/13.