2-(4-Methylphenyl)malonaldehyde

Base Information

• Chemical Name: 2-(4-Methylphenyl)malonaldehyde
• CAS No.: 27956-35-0
• Molecular Formula: C10H10 O2
• Molecular Weight: 162.188
• Hs Code.: 29123000
• European Community (EC) Number: 811-354-8
• DSSTox Substance ID: DTXSID50371712
• Wikidata: Q82159147
• Mol file: 27956-35-0.mol

Synonyms:2-(4-methylphenyl)malonaldehyde;27956-35-0;2-(4-methylphenyl)propanedial;2-(p-Tolyl)malonaldehyde;2-(4-Methylphenyl)malondialdehyde;2-p-tolylmalonaldehyde;SCHEMBL548390;(4-(Aminomethyl)phenyl)(phenyl)methanone hydrochloride?;DTXSID50371712;TXQHUJPDCFREEC-UHFFFAOYSA-N;2-(4-methylphenyl)-malondialdehyde;MFCD00216506;AKOS005071908;BB-0711;NCGC00336812-01;AM20040664;CS-0252563;FT-0676474;EN300-60797;AB01331461-02;A876821;J-506568;Z955014002

Chemical Property of 2-(4-Methylphenyl)malonaldehyde

Chemical Property:

• Vapor Pressure: 0.000111mmHg at 25°C
• Melting Point: 128-134 °C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 322.9°Cat760mmHg
• Flash Point: 137°C
• PSA: 34.14000
• Density: 1.119g/cm³
• LogP: 1.47640
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

98%min ^*data from raw suppliers

2-(4-Methylphenyl)malonaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(C=O)C=O

Technology Process of 2-(4-Methylphenyl)malonaldehyde

There total 3 articles about 2-(4-Methylphenyl)malonaldehyde 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:

3-p-tolyl-1,1,5,5-tetramethyl-1H-1,5-diazapentadienium perchlorate → 2-(4-methylphenyl)malondialdehyde (27956-35-0)

Guidance literature:

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

DOI:10.1016/j.bmcl.2013.12.014

Reference yield:

4-tolylacetic acid (622-47-9) → 2-(4-methylphenyl)malondialdehyde (27956-35-0)

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:

→ 2-(4-methylphenyl)malondialdehyde (27956-35-0)

Guidance literature:

3-Imino-2-p-tolylpropanol (5), wss. H2SO4/AcOH, Δ (isoliert als Cu(II)-Komplex);

upstream raw materials:

4-tolylacetic acid

Downstream raw materials:

(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-[(R)-(tetrahydro-furan-3-yl)amino]-2-(4-p-tolyl-pyrazol-1-yl)-purin-9-yl]-tetrahydro-furan-3,4-diol

1-methyl-4-(4-methylphenyl)-1H-pyrazole

6,13-di(p-tolyl)-5,14-dihydrodibenzo{b,i}-1,4,8,11-tetraaza{14}annulene

1-(4-nitrophenyl)-4-p-tolyl-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.