Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)-

Base Information

• Chemical Name: Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)-
• CAS No.: 1142223-08-2
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Mol file: 1142223-08-2.mol

Synonyms:Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)-;(βS)-β-cyclopropyl-3-hydroxy-Benzenepropanoic acid methyl ester;(S)-Methyl 3-cyclopropyl-3-(3-hydroxyphenyl)propanoate;methyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate

Chemical Property of Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)-

Chemical Property:

• Boiling Point: 344.4±17.0 °C(Predicted)
• PKA: 9.83±0.10(Predicted)
• PSA: 46.53000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 2.44890

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
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Technology Process of Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)-

There total 6 articles about Benzenepropanoic acid, β-cyclopropyl-3-hydroxy-, Methyl ester, (βS)- 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: 83.0%

methyl (E)-3-cyclopropylpropenoate (59939-11-6) + 3-hydroxyphenylboronic acid (87199-18-6) → methyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (1142223-08-2,1142224-62-1)

Guidance literature:

With hydroxy[(S)-Binap]rhodium(I) dimer; In 1,4-dioxane; water; at 40 ℃; for 3h; Inert atmosphere;

DOI:10.1021/ml300133f

Reference yield:

3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid methyl ester (1142224-62-1) → methyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (1142223-08-2,1142224-62-1) + methyl (3R)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (1142223-06-0,1142224-62-1)

Guidance literature:

With OD column; In isopropyl alcohol; acetonitrile; Resolution of racemate;

Reference yield:

5-((3-hydroxyphenyl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (15795-58-1) → methyl (3S)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (1142223-08-2,1142224-62-1) + methyl (3R)-3-cyclopropyl-3-(3-hydroxyphenyl)propanoate (1142223-06-0,1142224-62-1)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 0.5 h / 0 - 20 °C

2: water / N,N-dimethyl-formamide / 90 °C

3: sulfuric acid / Reflux

With sulfuric acid; water; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/ml300133f

upstream raw materials:

methyl (E)-3-cyclopropylpropenoate

3-hydroxyphenylboronic acid

5-((3-hydroxyphenyl)methylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione

5-(cyclopropyl(3-hydroxyphenyl)methyl)-2,2-dimethyl-1,3-dioxane-4,6-dione

Downstream raw materials:

[3H]-AM 1638

C₃₄H₃₇FO₄

(S)-methyl 3-cyclopropyl-3-(3-((2'-fluoro-5'-methoxy-2-((R)-1-methoxy-2,2-dimethylpropyl)-[1,1'-biphenyl]-4-yl)methoxy)phenyl)propanoate

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