4-(Heptyloxy)benzaldehyde

Base Information

• Chemical Name: 4-(Heptyloxy)benzaldehyde
• CAS No.: 27893-41-0
• Molecular Formula: C14H20 O2
• Molecular Weight: 220.312
• Hs Code.: 29124990
• European Community (EC) Number: 248-714-3
• DSSTox Substance ID: DTXSID0067345
• Nikkaji Number: J30.715G
• Wikidata: Q81993924
• Mol file: 27893-41-0.mol

Synonyms:4-(Heptyloxy)benzaldehyde;27893-41-0;4-Heptyloxybenzaldehyde;p-Heptyloxybenzaldehyde;4-n-Heptyloxybenzaldehyde;4-heptoxybenzaldehyde;Benzaldehyde, 4-(heptyloxy)-;EINECS 248-714-3;4-n-Heptoxybenzaldehyde;p-(Heptyloxy)benzaldehyde;4-HEPTYLOXY-BENZALDEHYDE;Ziprasidonemesilate;p-n-Heptoxybenzaldehyde;p-n-Heptyloxybenzaldehyde;SCHEMBL1164373;DTXSID0067345;MFCD00016616;4-(Heptyloxy)benzaldehyde, AldrichCPR;AKOS003956335;AS-58616;CS-0186887;FT-0616777;H0238;EN300-39721;D90825;A819231;J-016911;Z57888023

Chemical Property of 4-(Heptyloxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Refractive Index: 1.5250
• Boiling Point: 334.7°Cat760mmHg
• Flash Point: 138.6°C
• PSA: 26.30000
• Density: 0.982g/cm³
• LogP: 3.84830
• Sensitive.: Air Sensitive
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 220.146329876
• Heavy Atom Count: 16
• Complexity: 172

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Heptyloxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCOC1=CC=C(C=C1)C=O

Technology Process of 4-(Heptyloxy)benzaldehyde

There total 10 articles about 4-(Heptyloxy)benzaldehyde 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: 90.0%

1-Bromoheptane (629-04-9) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(n-heptyloxy)benzaldehyde (27893-41-0)

Guidance literature:

4-hydroxy-benzaldehyde; With potassium hydroxide; In acetonitrile; at 20 ℃; for 1h;

1-Bromoheptane; In acetonitrile; for 4h; Reflux;

DOI:10.1002/ejoc.200801026

Reference yield:

1-Chloroheptane (629-06-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(n-heptyloxy)benzaldehyde (27893-41-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.1016/j.bioorg.2020.104170

Reference yield:

Br(1-)*C34H63N2O(1+) → 4-(n-heptyloxy)benzaldehyde (27893-41-0) + C20H45N2(1+)*Br(1-)

Guidance literature:

Br^(1-)*C₃₄H₆₃N₂O⁽¹⁺⁾; With cis-Octadecenoic acid; In chloroform; at 23 - 25 ℃;

With water; In chloroform; at 23 - 25 ℃; for 2h;

DOI:10.1039/d0ra06822e

upstream raw materials:

1-Iodoheptane

4-hydroxy-benzaldehyde

1-Bromoheptane

4-n-heptyloxybromobenzene

Downstream raw materials:

4-heptyloxybenzylidene-4'-pentyloxyaniline

4-(n)Heptyloxybenzyliden-4'-aethylanilin

[1-(4-Heptyloxy-phenyl)-meth-(E)-ylidene]-(4-iodo-phenyl)-amine

p-n-Heptoxybenzyliden-p-bromanilin

Refernces

• 1、 Li, Hao,Sibley, Christopher D.,Kharel, Yugesh,Huang, Tao,Brown, Anne M.,Wonilowicz, Laura G.,Bevan, David R.,Lynch, Kevin R.,Santos, Webster L.. "Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors". . . Retrieved 2021/01/07.
• 2、 Velappan, Anand Babu,Kesamsetty, Dhanunjaya,Datta, Dhrubajyoti,Ma, Rui,Hari, Natarajan,Franzblau, Scott G.,Debnath, Joy. "1,3-Oxazine-2-one derived dual-targeted molecules against replicating and non-replicating forms of Mycobacterium tuberculosis". supporting information. . Retrieved 2020/10/02.