Methyl 3-phenylpropionate

Base Information

• Chemical Name: Methyl 3-phenylpropionate
• CAS No.: 103-25-3
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 29163990
• European Community (EC) Number: 203-092-2
• NSC Number: 404188,10128
• UNII: 111LC1GI10
• DSSTox Substance ID: DTXSID2059271
• Nikkaji Number: J45.126F
• Wikidata: Q27162059
• Metabolomics Workbench ID: 44183
• ChEMBL ID: CHEMBL2252087
• Mol file: 103-25-3.mol

Synonyms:Methyl 3-phenylpropionate;103-25-3;Methyl 3-phenylpropanoate;Methyl hydrocinnamate;Benzenepropanoic acid, methyl ester;3-Phenylpropionic Acid Methyl Ester;Methyl benzenepropanoate;Hydrocinnamic acid, methyl ester;Methyl dihydrocinnamate;3-Phenylpropanoic acid methyl ester;Methyl beta-phenylpropionate;FEMA No. 2741;MFCD00017209;beta-Phenylpropionic acid methyl ester;METHYL PHENYLPROPIONATE;Methyl .beta.-phenylpropionate;UNII-111LC1GI10;CHEBI:89875;111LC1GI10;EINECS 203-092-2;NSC 10128;NSC-10128;.beta.-Phenylpropionic acid methyl ester;AI3-02453;Dihydromethyl cinnamate;Methyl3-phenylpropionate;methyl-3-phenylpropionat;EthylN-cyanoethanimideate;methyl 3 - phenylpropionate;Methyl beta -phenylpropionate;3-Phenylpropionic acid methyl;SCHEMBL168711;Methyl (3-phenyI) propanoate;CHEMBL2252087;dihydrocinnamic acid methyl ester;DTXSID2059271;FEMA 2741;benzenepropanoic acid methyl ester;NSC10128;3-phenyl-propanoic acid methyl ester;3-phenyl-propionic acid methyl ester;AC8659;LMFA07010951;NSC404188;3-Phenylpropionic Acid, Methyl Ester;AKOS000295897;beta -phenylpropionic acid methyl ester;CS-W007828;GS-3019;HY-W007828;NSC-404188;Hydrocinnamic acid, methyl ester (8CI);METHYL 3-PHENYLPROPIONATE [FHFI];Methyl esterof beta -phenylpropionic acid;SY017877;3-phenylbutanoate;Methyl ester of .beta.-Phenylpropionic acid;FT-0616348;M1786;EN300-84976;A800697;J-513062;Q27162059;Z18264384;Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester)

Chemical Property of Methyl 3-phenylpropionate

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.0423mmHg at 25°C
• Melting Point: 142-145 °C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 238.5 °C at 760 mmHg
• Flash Point: 99.7 °C
• PSA: 26.30000
• Density: 1.05 g/cm³
• LogP: 1.79220
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in chloroform. Insoluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

98% ^*data from raw suppliers

Methyl3-?Phenylpropionate(3-PhenylpropionicAcidMethylEster) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC=CC=C1
• Description: Methyl 3-phenylpropionate has a strong floral-fruity odor. May be prepared by reduction of methyl cinnamate in methanol solution with hydrogen and Ni under pressure.
• Uses: 3-Phenylpropionic Acid Methyl Ester is an ester derivative of 3-phenylpropionic acid that is sometimes present in fragrance ingredients. Methyl 3-phenylpropionate, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. 3-Phenylpropionic Acid Methyl Ester is an ester derivative of 3-phenylpropionic acid that is sometimes present in fragrance ingredients. It is also used as an application, aromatic intermediate.

Technology Process of Methyl 3-phenylpropionate

There total 315 articles about Methyl 3-phenylpropionate 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: 100.0%

methanol (67-56-1) + Benzyl 3-phenylpropionate (22767-96-0) → 3-phenylpropanoic acid methyl ester (103-25-3) + benzyl alcohol (100-51-6,185532-71-2)

Guidance literature:

2[{Cl(C₆F₁₃CH₂CH₂)2SnOSn(CH₂CH₂C₆F₁₃)2Cl}2]; In various solvent(s); at 150 ℃; for 16h;

DOI:10.1002/1521-3773(20011001)40:19<3670::AID-ANIE3670>3.0.CO;2-9

Reference yield: 100.0%

methanol (67-56-1) + ethyl dihydrocinnamate (2021-28-5) → ethanol (64-17-5) + 3-phenylpropanoic acid methyl ester (103-25-3)

Guidance literature:

2[{Cl(C₆F₁₃CH₂CH₂)2SnOSn(CH₂CH₂C₆F₁₃)2Cl}2]; In various solvent(s); at 150 ℃; for 16h;

DOI:10.1002/1521-3773(20011001)40:19<3670::AID-ANIE3670>3.0.CO;2-9

Reference yield: 97.0%

phenethylamine (64-04-0) + benzoic acid (65-85-0,8013-63-6) → 3-phenylpropanoic acid methyl ester (103-25-3) + N-phenethylbenzamide (3278-14-6)

Guidance literature:

With N-[4-methoxy-6-(N'-phenylbenzamido)-1,3,5-triazin-2-yl]-N-methylmorpholinium chloride; In methanol; at 20 ℃; for 4h;

DOI:10.3762/bjoc.12.179

upstream raw materials:

1-chloro-3-phenylpropan-2-one

sodium methylate

1-diazo-3-phenyl-2-propanone

silver benzoate

Downstream raw materials:

3-[4-(N,N-phthaloyl-glycyl)-phenyl]-propionic acid methyl ester

1,1,3-triphenylpropan-1-ol

methyl 3-cyclohexylpropionate

inden-1-one

Refernces

• 1、 Razzaq, Tahseen,Glasnov, Toma N.,Kappe, C. Oliver. "Continuous-Flow microreactor Chemistry under High-Temperature/pressure". . p. 1321 - 1325. Retrieved 2009.
• 2、 Miyazaki, Yoji,Hagio, Hiroyuki,Kobayashi, Sh. "Practical access to the polymer incarcerated platinum (PI Pt) catalyst and its application to hydrogenation". . p. 2529 - 2531. Retrieved 2006.
• 3、 Kawabata, Tomonori,Mizugaki, Tomoo,Ebitani, Kohki,Kaneda, Kiyotomi. "Highly efficient esterification of carboxylic acids with alcohols by montmorillonite enwrapped titanium as a heterogeneous acid catalyst". . p. 9205 - 9208. Retrieved 2003.
• 4、 Lee, Chul Woo,Alper, Howard. "Hydroesterification of Olefins Catalyzed by Pd(OAc)2 Immobilized on Montmorillonite". . p. 250 - 252. Retrieved 1995.
• 5、 Ooka, Hirohito,Inone, Tsutomu,Itsuno, Shinichi,Tanaka, Masato. "Highly active and selective palladium catalyst for hydroesterification of styrene and vinyl acetate promoted by polymeric sulfonic acids". . p. 1173 - 1175. Retrieved 2005.
• 6、 Sato, Haruka,Hosokawa, Seijiro. "Trimethylphosphine-Promoted Alcoholysis of α,β-Unsaturated Imides and α,β-Unsaturated Esters". . p. 1343 - 1349. Retrieved 2018.
• 7、 Jensen, Rasmus K.,Thykier, Nikolaj,Enevoldsen, Martin V.,Lindhardt, Anders T.. "A High Mobility Reactor Unit for R&D Continuous Flow Transfer Hydrogenations". . p. 370 - 376. Retrieved 2017.
• 8、 Chen, Meng,Chen, Miaomiao,Chen, Xingkun,Ding, Yunjie,Huang, Chuanqi,Lin, Ronghe,Mou, Xiaoling,Tan, Yuan,Wang, Saisai,Yang, Wenshao,Zhao, Ziang. "Porous organic polymer-supported palladium catalyst for hydroesterification of olefins". . . Retrieved 2020.
• 9、 Liguori, Francesca,Barbaro, Pierluigi. "Green semi-hydrogenation of alkynes by Pd@borate monolith catalysts under continuous flow". . p. 212 - 220. Retrieved 2014.
• 10、 Xu, Sihang,Zhang, Yong,Errabelli, Ramu,Attygalle, Athula B.. "Ambulation of Incipient Proton during Gas-Phase Dissociation of Protonated Alkyl Dihydrocinnamates". . p. 9468 - 9479. Retrieved 2015.