(S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID

Base Information

• Chemical Name: (S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID
• CAS No.: 195202-08-5
• Molecular Formula: C13H18 O5
• Molecular Weight: 254.283
• Hs Code.: 2915601990
• Mol file: 195202-08-5.mol

Synonyms:Benzeneaceticacid, a-ethyl-3,4,5-trimethoxy-, (S)-(9CI); (S)-2-(3,4,5-Trimethoxyphenyl)butyric acid

Chemical Property of (S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID

Chemical Property:

• Vapor Pressure: 2.05E-06mmHg at 25°C
• Boiling Point: 378.9°Cat760mmHg
• PKA: 4.28±0.14(Predicted)
• Flash Point: 138.7°C
• PSA: 64.99000
• Density: 1.142g/cm³
• LogP: 2.29060
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), methanol (Sparingly)

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-(3,4,5-Trimethoxyphenyl)butyricAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: (S)-2-(3,4,5-Trimethoxyphenyl)butyric Acid, is a building block used in various chemical synthesis.

Technology Process of (S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID

There total 6 articles about (S)-2-(3,4,5-TRIMETHOXYPHENYL)BUTYRIC ACID 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: 91.0%

→ (2S)-2-(3,4,5-trimethoxyphenyl)butanoic acid (195202-08-5)

Guidance literature:

Reference yield: 81.0%

3,4,5-trimethoxyphenyl acetic acid (951-82-6) + N1,N3-bis((R)-1-phenyl-2-(piperidin-1-yl)ethyl)propane-1,3-diamine + ethyl iodide (75-03-6) → (2S)-2-(3,4,5-trimethoxyphenyl)butanoic acid (195202-08-5)

Guidance literature:

3,4,5-trimethoxyphenyl acetic acid; N¹,N³-bis((R)-1-phenyl-2-(piperidin-1-yl)ethyl)propane-1,3-diamine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.333333h;

ethyl iodide; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h;

DOI:10.1021/acs.joc.8b00698

Reference yield: 48.5%

2-ethyl-(3,4,5-trimethoxyphenyl)acetic acid (195202-06-3) → (2S)-2-(3,4,5-trimethoxyphenyl)butanoic acid (195202-08-5)

Guidance literature:

With Cinchonidin; In acetonitrile; at 20 ℃;

upstream raw materials:

3,4,5-trimethoxyphenyl acetic acid

2-ethyl-(3,4,5-trimethoxyphenyl)acetic acid

X

(+)-<1'S,2'S>-N-(2'-hydroxy-1'-methyl-2'-phenylethyl)-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide

Downstream raw materials:

(S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylic acid

(R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-morpholinoethoxy)phenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate

(R)-1-(3-(2-(tert-butoxy)-2-oxoethoxy)phenyl)-3-(3,4-dimethoxyphenyl)propyl (S)-1-((S)-2-(3,4,5-trimethoxyphenyl)butanoyl)piperidine-2-carboxylate

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