Methyl 3-Hydroxy-2-methylene-3-phenylpropionate

Base Information

• Chemical Name: Methyl 3-Hydroxy-2-methylene-3-phenylpropionate
• CAS No.: 18020-59-2
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID80433115
• Nikkaji Number: J631.392B
• ChEMBL ID: CHEMBL350488
• Mol file: 18020-59-2.mol

Synonyms:18020-59-2;Methyl 3-Hydroxy-2-methylene-3-phenylpropionate;METHYL 2-[HYDROXY(PHENYL)METHYL]PROP-2-ENOATE;methyl 2-[hydroxy(phenyl)methyl]acrylate;2-(Hydroxy-phenyl-methyl)-acrylic acid methyl ester;methyl 2-(hydroxy(phenyl)methyl)acrylate;CHEMBL350488;SCHEMBL1692271;DTXSID80433115;VZGOKIHNKHAORQ-UHFFFAOYSA-N;MFCD09030954;AKOS000208796;2-(alpha-Hydroxybenzyl)acrylic acid methyl ester;methyl 3-hydroxy-2-methylene-3-phenylpropanoate;(-)Methyl 3-hydroxy-2-methylene-3-phenylpropanoate;(+/-)methyl 3-hydroxy-2-methylene-3-phenylpropanoate;3-hydroxy-2-methylene-3-phenylpropionate Methyl Ester;2-(HYDROXY-PHENYL-METHYL)-ACRYLICACIDMETHYLESTER

Chemical Property of Methyl 3-Hydroxy-2-methylene-3-phenylpropionate

Chemical Property:

• Melting Point: 126-128 °C
• Boiling Point: 322.186 °C at 760 mmHg
• PKA: 12.85±0.20(Predicted)
• Flash Point: 137.567 °C
• PSA: 46.53000
• Density: 1.141 g/cm³
• LogP: 1.44920
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-[hydroxy(phenyl)methyl]acrylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-Hydroxy-2-methylene-3-phenylpropionate

There total 82 articles about Methyl 3-Hydroxy-2-methylene-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%

1,1,1,3,3,3-hexafluoropropan-2-yl (R)-3-hydroxy-2-methylene-3-phenylpropanoate (253197-70-5) → methyl (R)-3-hydroxy-3-phenyl-2-methylenepropanoate (18020-59-2,98837-37-7,108945-27-3,140630-33-7)

Guidance literature:

With sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h;

DOI:10.1002/ejoc.201700337

Reference yield: 99.0%

benzaldehyde (100-52-7) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl (R)-3-hydroxy-3-phenyl-2-methylenepropanoate (18020-59-2,98837-37-7,108945-27-3,140630-33-7)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In 1,4-dioxane; water; at 20 ℃; for 48h; Inert atmosphere;

DOI:10.1016/j.tet.2013.11.014

Reference yield: 99.0%

benzaldehyde (100-52-7) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 3-hydroxy-2-methylidene-3-phenylpropionate (18020-59-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In methanol; at 0 ℃; for 48h;

upstream raw materials:

benzaldehyde

acrylic acid methyl ester

propynoic acid methyl ester

methyl 3-hydroxy-2-(nitromethyl)-3-phenylpropanoate

Downstream raw materials:

2-[(Diethoxy-phosphanyloxy)-phenyl-methyl]-acrylic acid methyl ester

Malonic acid ethyl ester 2-methoxycarbonyl-1-phenyl-allyl ester

(2S,3R)-methyl 3-hydroxy-2-methyl-3-phenylpropionate

methyl (S)-3-hydroxy-3-phenyl-2-methylenepropanoate