2-(4-Fluorophenyl)propanedial

Base Information

• Chemical Name: 2-(4-Fluorophenyl)propanedial
• CAS No.: 493036-47-8
• Molecular Formula: C9H7FO2
• Molecular Weight: 166.152
• Hs Code.: 2913000090
• European Community (EC) Number: 671-752-0
• DSSTox Substance ID: DTXSID90396444
• Wikidata: Q82197164
• Mol file: 493036-47-8.mol

Synonyms:493036-47-8;2-(4-fluorophenyl)propanedial;2-(4-fluorophenyl)malonaldehyde;2-(4-Fluorophenyl)malondialdehyde;SCHEMBL2553781;DTXSID90396444;MFCD02261897;AKOS006228603;PS-11663;CS-0307989;FT-0676531;EN300-103759

Chemical Property of 2-(4-Fluorophenyl)propanedial

Chemical Property:

• Vapor Pressure: 0.000355mmHg at 25°C
• Melting Point: 165-167°C
• Boiling Point: 305.6°C at 760 mmHg
• PKA: 3.95±0.10(Predicted)
• Flash Point: 138.6°C
• PSA: 34.14000
• Density: 1.251g/cm³
• LogP: 1.30710
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.04300762
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Fluorophenyl)malondialdehyde ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(C=O)C=O)F

Technology Process of 2-(4-Fluorophenyl)propanedial

There total 2 articles about 2-(4-Fluorophenyl)propanedial 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:

C13H18FN2(1+)*ClO4(1-) (252950-06-4) → 2-(4-fluorophenyl)malondialdehyde (493036-47-8)

Guidance literature:

With sodium hydroxide; In water; at 90 ℃; for 0.25h;

DOI:10.1016/j.bmcl.2013.12.014

Reference yield:

p-Fluorophenylacetic acid (405-50-5) → 2-(4-fluorophenyl)malondialdehyde (493036-47-8)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate; sodium perchlorate monohydrate / 5 - 95 °C

2: sodium hydroxide / water / 0.25 h / 90 °C

With sodium perchlorate monohydrate; sodium hydroxide; trichlorophosphate; In water;

DOI:10.1016/j.bmcl.2013.12.014

Reference yield: 66.0%

2-(4-fluorophenyl)malondialdehyde (493036-47-8) + 5-amino-1H-imidazole-4-carboxylic acid ethyl ester (21190-16-9) → ethyl 3-(4-fluorophenyl)imidazo[1,5-a]pyrimidine-8-carboxylate

Guidance literature:

With acetic acid; at 90 ℃; for 2h;

upstream raw materials:

p-Fluorophenylacetic acid

C₁₃H₁₈FN₂⁽¹⁺⁾*ClO₄^(1-)

Downstream raw materials:

4-(4-fluorophenyl)-1-(4-nitrophenyl)-1H-pyrazole

Refernces

• 1、 Li, Shenghui,Xu, Shengjie,Tang, Yonghe,Ding, Shan,Zhang, Jinchao,Wang, Shuxiang,Zhou, Guoqiang,Zhou, Chuanqi,Li, Xiaoliu. "Synthesis, anticancer activity and DNA-binding properties of novel 4-pyrazolyl-1,8-naphthalimide derivatives". . p. 586 - 590. Retrieved 2014/01/23.