Methyl 3-(3-hydroxyphenyl)propanoate

Base Information

• Chemical Name: Methyl 3-(3-hydroxyphenyl)propanoate
• CAS No.: 61389-68-2
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918290000
• European Community (EC) Number: 805-399-2
• DSSTox Substance ID: DTXSID20363765
• Nikkaji Number: J2.454.109F
• Wikidata: Q82147503
• Mol file: 61389-68-2.mol

Synonyms:Methyl 3-(3-hydroxyphenyl)propanoate;61389-68-2;Methyl 3-(3-hydroxyphenyl)propionate;Benzenepropanoic acid, 3-hydroxy-, methyl ester;MFCD03788460;SCHEMBL1124591;AMY5124;DTXSID20363765;methyl 3-hydroxy-benzenepropanoate;AKOS006345964;methyl 3-(3-hydroxyphenyl) propionate;DS-17540;SY046258;3-Hydroxybenzenepropionic acid methyl ester;3-Hydroxy-benzenepropanoic acid methyl ester;CS-0131489;FT-0693530;3-(3-hydroxyphenyl)propionic acid methyl ester;Y10606;3-(3-hydroxy-phenyl)-propionic acid methyl ester;methyl 3-(3-hydroxyphenyl)propionate, AldrichCPR

Chemical Property of Methyl 3-(3-hydroxyphenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.000899mmHg at 25°C
• Refractive Index: 1.532
• Boiling Point: 294.8 °C at 760 mmHg
• Flash Point: 125 °C
• PSA: 46.53000
• Density: 1.146 g/cm³
• LogP: 1.49780
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl3-(3-hydroxyphenyl)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC1=CC(=CC=C1)O

Technology Process of Methyl 3-(3-hydroxyphenyl)propanoate

There total 14 articles about Methyl 3-(3-hydroxyphenyl)propanoate 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%

trans-3-(3-hydroxyphenyl)acrylic acid methyl ester (66417-46-7) → methyl 3-(3-hydroxyphenyl)propionate (61389-68-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 24h; under 3000.3 Torr;

Reference yield: 100.0%

methanol (67-56-1) + 3-(3-hydroxyphenyl)-propanoic acid (621-54-5) → methyl 3-(3-hydroxyphenyl)propionate (61389-68-2)

Guidance literature:

With sulfuric acid; for 8h; Heating;

DOI:10.1016/j.bmcl.2006.08.052

Reference yield: 98.0%

methyl iodide (74-88-4) → methyl 3-(3-hydroxyphenyl)propionate (61389-68-2)

Guidance literature:

3-(3-hydroxyphenyl)-propanoic acid; With potassium hydrogencarbonate; In N,N-dimethyl-formamide; at 18 - 25 ℃; for 0.166667h;

methyl iodide; In N,N-dimethyl-formamide; at 40 ℃; Product distribution / selectivity;

upstream raw materials:

methanol

3-(3-hydroxyphenyl)-propanoic acid

methyl iodide

trans-3-(3-hydroxyphenyl)acrylic acid methyl ester

Downstream raw materials:

3-{3-[3-(4-Chloro-phenoxy)-2-hydroxy-propoxy]-phenyl}-propionic acid

3-(3-hydroxyphenyl)propanol

methyl 3-(3-hydroxy-2,4,6-trichlorophenyl)-propanoate

methyl 3-isopropoxydihydrocinnamate

Refernces

• 1、 Song, Lijun,Merceron, Romain,Gracia, Bego?a,Quintana, Ainhoa Lucía,Risseeuw, Martijn D. P.,Hulpia, Fabian,Cos, Paul,Aínsa, José A.,Munier-Lehmann, Hélène,Savvides, Savvas N.,Van Calenbergh, Serge. "Structure Guided Lead Generation toward Nonchiral M. tuberculosis Thymidylate Kinase Inhibitors". . p. 2753 - 2775. Retrieved 2018/04/23.
• 2、 Ikubo, Masaya,Inoue, Asuka,Nakamura, Sho,Jung, Sejin,Sayama, Misa,Otani, Yuko,Uwamizu, Akiharu,Suzuki, Keisuke,Kishi, Takayuki,Shuto, Akira,Ishiguro, Jun,Okudaira, Michiyo,Kano, Kuniyuki,Makide, Kumiko,Aoki, Junken,Ohwada, Tomohiko. "Structure-activity relationships of lysophosphatidylserine analogs as agonists of G-protein-coupled receptors GPR34, P2Y10, and GPR174". supporting information. p. 4204 - 4219. Retrieved 2015/06/08.