Dimethyl cinnamylidenemalonate

Base Information

• Chemical Name: Dimethyl cinnamylidenemalonate
• CAS No.: 37755-22-9
• Molecular Formula: C14H14O4
• Molecular Weight: 246.263
• European Community (EC) Number: 253-653-0
• Nikkaji Number: J261.242I,J2.646.891D
• Mol file: 37755-22-9.mol

Synonyms:Dimethyl cinnamylidenemalonate;37755-22-9;EINECS 253-653-0;SCHEMBL11231490;QKATZXQTAXGSBB-RMKNXTFCSA-N;HMS1620M19;STK723414;AKOS001700280;NCGC00322426-01;AB01317549-02;dimethyl 2-[(2E)-3-phenyl-2-propenylidene]malonate;dimethyl [(2E)-3-phenylprop-2-en-1-ylidene]propanedioate;1,3-DIMETHYL 2-[(2E)-3-PHENYLPROP-2-EN-1-YLIDENE]PROPANEDIOATE;propanedioic acid, 2-[3-phenyl-2-propen-1-ylidene]-, dimethyl ester

Chemical Property of Dimethyl cinnamylidenemalonate

Chemical Property:

• Vapor Pressure: 4.11E-05mmHg at 25°C
• Boiling Point: 351.4°C at 760 mmHg
• Flash Point: 172.3°C
• PSA: 52.60000
• Density: 1.154g/cm³
• LogP: 1.97220
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 246.08920892
• Heavy Atom Count: 18
• Complexity: 331

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(=CC=CC1=CC=CC=C1)C(=O)OC
• Isomeric SMILES: COC(=O)C(=C/C=C/C1=CC=CC=C1)C(=O)OC

Technology Process of Dimethyl cinnamylidenemalonate

There total 3 articles about Dimethyl cinnamylidenemalonate 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: 81.0%

dimethyl diazomalonate (6773-29-1) + 3-phenyl-propenal (104-55-2) → dimethyl 2-(3-phenylprop-2-en-1-ylidene)malonate (37755-22-9)

Guidance literature:

With tributylstibine; copper(l) iodide; In benzene; at 80 ℃; for 6h;

DOI:10.1016/S0040-4039(00)97988-7

Reference yield: 59.0%

3-phenyl-propenal (104-55-2) + malonic acid dimethyl ester (108-59-8) → dimethyl 2-(3-phenylprop-2-en-1-ylidene)malonate (37755-22-9)

Guidance literature:

With piperidine; at 20 ℃;

DOI:10.1007/BF00961111

Reference yield:

methanol (67-56-1) + 2-((Z)-3-Phenyl-allylidene)-malonic acid (676551-01-2,4472-92-8) → dimethyl 2-(3-phenylprop-2-en-1-ylidene)malonate (37755-22-9)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

2-((Z)-3-Phenyl-allylidene)-malonic acid

3-phenyl-propenal

malonic acid dimethyl ester

Downstream raw materials:

(2S,3S)-2-Methoxycarbonyl-3-((E)-styryl)-4-[1,7,7-trimethyl-bicyclo[2.2.1]hept-(2E)-ylideneamino]-pentanedioic acid 5-tert-butyl ester 1-methyl ester

(2,3-dibromo-3-phenyl-propylidene)-malonic acid dimethyl ester

dimethyl 3-phenyl-1-phthalimido-2,3-dihydro-1H-pyrrole-2,2-dicarboxylate