4-N-PENTYLOXYBENZALDEHYDE

Base Information

• Chemical Name: 4-N-PENTYLOXYBENZALDEHYDE
• CAS No.: 5736-91-4
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• Hs Code.: 2912499000
• European Community (EC) Number: 227-250-5
• NSC Number: 69105
• UNII: PL312YEG7F
• DSSTox Substance ID: DTXSID5063994
• Nikkaji Number: J141.716I
• Wikidata: Q81991155
• Mol file: 5736-91-4.mol

Synonyms:p-Pentoxybenzaldehyde;Benzaldehyde,p-(pentyloxy)- (6CI,8CI);4-(Pentyloxy)benzaldehyde;4-Pentoxybenzaldehyde;4-n-Pentoxybenzaldehyde;NSC 69105;p-(Pentyloxy)benzaldehyde;4-n-Amyloxybenzaldehyde;4-Amyloxybenzaldehyde;

Chemical Property of 4-N-PENTYLOXYBENZALDEHYDE

Chemical Property:

• Vapor Pressure: 0.000923mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 303.6 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 26.30000
• Density: 1.005 g/cm³
• LogP: 3.06810
• Sensitive.: Air Sensitive
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 148

Purity/Quality:

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

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCOC1=CC=C(C=C1)C=O

Technology Process of 4-N-PENTYLOXYBENZALDEHYDE

There total 9 articles about 4-N-PENTYLOXYBENZALDEHYDE 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: 95.3%

1-Bromopentane (110-53-2) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(n-pentyloxy)benzaldehyde (5736-91-4)

Guidance literature:

With potassium carbonate; In acetone; at 60 - 70 ℃; for 24h; Inert atmosphere;

DOI:10.1080/00397911.2019.1615509

Reference yield: 81.0%

amyl iodide (628-17-1) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(n-pentyloxy)benzaldehyde (5736-91-4)

Guidance literature:

With potassium carbonate; In butanone; for 24h; Heating;

DOI:10.1016/j.bmc.2003.08.012

Reference yield:

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-(n-pentyloxy)benzaldehyde (5736-91-4)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1080/15421406.2016.1221989

upstream raw materials:

hexamethylenetetramine

(4-chloromethyl-phenyl)-pentyl ether

amyl iodide

4-hydroxy-benzaldehyde

Downstream raw materials:

4-pentyloxy-N-(4-pentyloxy-benzyliden)-aniline

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

(4-(pentyloxy)phenyl)methanol

4,4'-di-n-pentyloxybenzalazine

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.