Diphenyl malonate

Base Information

• Chemical Name: Diphenyl malonate
• CAS No.: 1969-44-4
• Molecular Formula: C15H12 O4
• Molecular Weight: 256.258
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID80382654
• Nikkaji Number: J802.655F
• Wikidata: Q82174005
• Mol file: 1969-44-4.mol

Synonyms:diphenyl malonate;1969-44-4;Diphenyl Propanedioate;Propanedioic acid, diphenyl ester;propanedioic acid diphenyl ester;MALONIC ACID DIPHENYL ESTER;Diphenylmalonate;SCHEMBL153387;DTXSID80382654;HCWOVPZEAFLXPL-UHFFFAOYSA-N;3-Aminophenylboronic acidhemisulphate;MFCD00437604;AKOS016010180;AS-10018;CS-0156092;FT-0633944;A813881

Chemical Property of Diphenyl malonate

Chemical Property:

• Vapor Pressure: 1.08E-06mmHg at 25°C
• Melting Point: 49 °C
• Refractive Index: 1.569
• Boiling Point: 402.7°C at 760 mmHg
• PKA: 9.93±0.46(Predicted)
• Flash Point: 204.5°C
• PSA: 52.60000
• Density: 1.225g/cm³
• LogP: 2.58770
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 271

Purity/Quality:

98% ^*data from raw suppliers

Diphenylmalonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2

Technology Process of Diphenyl malonate

There total 11 articles about Diphenyl malonate 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: 99.0%

malonic acid (141-82-2) + phenol (108-95-2,27073-41-2) → diphenyl malonate (1969-44-4)

Guidance literature:

With trichlorophosphate; at 0 ℃; for 5.08333h; Heating / reflux;

Reference yield:

carbon suboxide (504-64-3) + phenol (108-95-2,27073-41-2) → diphenyl malonate (1969-44-4)

Guidance literature:

With diethyl ether; sulfuric acid;

Reference yield:

malonoyl dichloride (1663-67-8) + phenol (108-95-2,27073-41-2) → diphenyl malonate (1969-44-4)

Guidance literature:

upstream raw materials:

malonic acid

acetic anhydride

malonoyl dichloride

phenol

Downstream raw materials:

1-Trichlormethyl-2,2-dicarbophenoxy-vinylamin

C₁₇H₁₁Cl₄NO₄

C₁₇H₁₀Cl₅NO₄

p-Hydroxybenzoylessigsaeurephenylester

Refernces

• 1、 Zhang, Dong,Zhu, Liangliang,Li, Hong,Su, Jianhua. "New ferrocenyl derivative with controllable aggregation-induced emission (AIE) characteristics". . p. 241 - 246. Retrieved 2010.
• 2、 Chen, You-Sheng,Kuo, Pei-Yu,Shie, Tien-Lan,Yang, Ding-Yah. "Structure, reactivity, and application of some triketone derivatives". . p. 9410 - 9416. Retrieved 2006.
• 3、 Pan, Sheng-Lin,Li, Kun,Li, Ling-Ling,Li, Meng-Yang,Shi, Lei,Liu, Yan-Hong,Yu, Xiao-Qi. "A reaction-based ratiometric fluorescent sensor for the detection of Hg(ii) ions in both cells and bacteria". . p. 4955 - 4958. Retrieved 2018.
• 4、 Xu, Gaoping,Tang, Yonghe,Lin, Weiying. "A multi-signal fluorescent probe for the discrimination of cysteine/homocysteine and glutathione and application in living cells and zebrafish". . p. 12615 - 12620. Retrieved 2018.
• 5、 Chen, Zhaokang,Feng, Guodong,Li, Shaoheng,Shi, Na,Song, Zhiguang,Xia, Daichuan,Zhang, Mingyu,Zheng, Qingchuan. "A novel benzotriazole derivate with Twisted intramolecular charge transfer and Aggregation Induced emission features for proton determination". . . Retrieved 2021/12/30.
• 6、 Zhu, Yasheng,Wang, Hongliang,Wang, Gang,Wang, Zehua,Liu, Zhaopeng,Liu, Lei. "Enantioselective Construction of Single and Vicinal All-Carbon Quaternary Stereocenters through Ion-Pair-Catalyzed 1,6-Conjugate Addition". supporting information. p. 7248 - 7253. Retrieved 2021/09/14.