4-(Hexyloxy)benzaldehyde

Base Information

• Chemical Name: 4-(Hexyloxy)benzaldehyde
• CAS No.: 5736-94-7
• Molecular Formula: C13H18 O2
• Molecular Weight: 206.285
• Hs Code.: 2912499000
• European Community (EC) Number: 227-251-0
• NSC Number: 508752
• UNII: ZU34J4QL75
• DSSTox Substance ID: DTXSID0063995
• Nikkaji Number: J141.717G
• Wikidata: Q81991157
• Mol file: 5736-94-7.mol

Synonyms:4-(Hexyloxy)benzaldehyde;5736-94-7;4-Hexyloxybenzaldehyde;4-Hexoxybenzaldehyde;4-n-Hexyloxybenzaldehyde;Benzaldehyde, 4-(hexyloxy)-;p-Hexyloxybenzaldehyde;Benzaldehyde, p-(hexyloxy)-;p-(Hexyloxy)benzaldehyde;p-n-Hexyloxybenzaldehyde;ZU34J4QL75;EINECS 227-251-0;NSC 508752;NSC-508752;p-Hexoxybenzaldehyde;NSC508752;4-n-hexoxybenzaldehyde;4-hexyloxy benzaldehyde;4-hexyloxy-benzaldehyde;UNII-ZU34J4QL75;SCHEMBL895947;DTXSID0063995;4-(Hexyloxy)benzaldehyde, 98%;4-(N-HEXYLOXY)BENZALDEHYDE;BCP34223;BBL036965;MFCD00016615;STK500987;AKOS000119908;NCGC00340474-01;AS-58236;CS-0186888;FT-0618591;H0166;EN300-16977;D90810;4-N-Hexyloxybenzaldehyde;AB01333447-02;A831413;Z56851159

Chemical Property of 4-(Hexyloxy)benzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.000342mmHg at 25°C
• Refractive Index: n20/D 1.529(lit.)
• Boiling Point: 319.3°Cat760mmHg
• Flash Point: 134°C
• PSA: 26.30000
• Density: 0.993g/cm³
• LogP: 3.45820
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Air Sensitive
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

4-(Hexyloxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC=C(C=C1)C=O

Technology Process of 4-(Hexyloxy)benzaldehyde

There total 17 articles about 4-(Hexyloxy)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: 100.0%

1-bromo-hexane (111-25-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(hexyloxy)benzaldehyde (5736-94-7)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1139/V10-056

Reference yield: 98.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + 1-Iodohexane (638-45-9) → 4-(hexyloxy)benzaldehyde (5736-94-7)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux; Inert atmosphere;

Reference yield: 95.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(hexyloxy)benzaldehyde (5736-94-7)

Guidance literature:

With potassium carbonate;

DOI:10.1002/anie.201903791

upstream raw materials:

4-hydroxy-benzaldehyde

1-Iodohexane

1-bromo-hexane

1-bromo-4-hexyloxylbenzene

Downstream raw materials:

4-(4-hexyloxy-benzylidenamino)-trans-cinnamic acid ethyl ester

7-ethoxycarbonyl-2-<4-(hexyloxy)phenylmethylene>benzothiophen-3(2H)-one

(2E)-3-[4-(hexyloxy)phenyl]-2-propenoic acid

7-hexyloxycarbonyl-2-<4-(hexyloxy)phenylmethylene>benzothiophen-3(2H)-one

Refernces

• 1、 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.
• 2、 Katariya, Kanubhai D,Shah, Shailesh R.,Reddy, Dushyanth. "Anticancer, antimicrobial activities of quinoline based hydrazone analogues: Synthesis, characterization and molecular docking". supporting information. . Retrieved 2019/11/26.