Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

Base Information

• Chemical Name: Ethyl 3-hydroxy-4,4,4-trifluorobutyrate
• CAS No.: 372-30-5
• Molecular Formula: C6H9F3O3
• Molecular Weight: 186.131
• Hs Code.: 29181990
• European Community (EC) Number: 609-363-5
• DSSTox Substance ID: DTXSID70958382
• Nikkaji Number: J308.983E
• Mol file: 372-30-5.mol

Synonyms:ethyl 3FHB;ethyl 4,4,4-trifluoro-3-hydroxybutanoate

Chemical Property of Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

Chemical Property:

• Appearance/Colour: clear combustible liquid, lachrymator.
• Vapor Pressure: 10.1mmHg at 25°C
• Melting Point: 23 °C
• Refractive Index: 1.374
• Boiling Point: 208.4 °C at 760 mmHg
• PKA: 11.68±0.20(Predicted)
• Flash Point: 85.6 °C
• PSA: 46.53000
• Density: 1.28 g/cm³
• LogP: 0.86280
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 186.05037863
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl4,4,4-trifluoro-3-hydroxybutanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: 26-36-60-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C(F)(F)F)O

Technology Process of Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

There total 2 articles about Ethyl 3-hydroxy-4,4,4-trifluorobutyrate 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: 62.0%

ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → Ethyl (R)-3-hydroxybutanoate (24915-95-5) + ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate (372-30-5,85571-85-3,88968-78-9,99437-70-4) + ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate (85571-85-3)

Guidance literature:

With Fala baker' yeast; allyl alcohol; Microbiological reaction;

DOI:10.1016/S0040-4039(00)02240-1

Reference yield:

ethyl 4,4,4-trifluoroacetoacetate (372-31-6) → Ethyl (R)-3-hydroxybutanoate (24915-95-5) + ethyl (3S)-4,4,4-trifluoro-3-hydroxybutanoate (372-30-5,85571-85-3,88968-78-9,99437-70-4) + ethyl acetoacetate (141-97-9) + ethyl (3R)-4,4,4-trifluoro-3-hydroxybutanoate (85571-85-3)

Guidance literature:

With Fala baker' yeast; allyl alcohol;

DOI:10.1016/S0040-4039(00)02240-1

Reference yield: 96.0%

ethyl 3-hydroxy-4,4,4-trifluorobutyrate (372-30-5) → ethyl 4,4,4-trifluorocrotonate (25597-16-4)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In diethyl ether; Ambient temperature;

DOI:10.1021/jo00182a022

upstream raw materials:

ethyl 4,4,4-trifluoroacetoacetate

Downstream raw materials:

ethyl 4,4,4-trifluorocrotonate

rac-4,4,4-trifluoro-3-hydroxybutanoic acid

4,4,4-trifluoro-3-hydroxybutanamide

3-(4-bromo-benzenesulfonyloxy)-4,4,4-trifluoro-butyric acid ethyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 372-30-5 Ethyl 3-hydroxy-4,4,4-trifluorobutyrate

Send

Send

Metric Ton KG G Pound L ML

Send

Send