[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Base Information

• Chemical Name: [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• CAS No.: 85541-57-7
• Molecular Formula: C18H12F6O5
• Molecular Weight: 422.28
• Hs Code.: 2915240000
• European Community (EC) Number: 672-684-4
• Mol file: 85541-57-7.mol

Synonyms:85541-57-7;D91486

Chemical Property of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Chemical Property:

• Melting Point: 48°C
• Refractive Index: 77.5 ° (C=2, CHCl3)
• Boiling Point: 398.1±42.0 °C(Predicted)
• PSA: 83.83000
• Density: 1.365±0.06 g/cm3(Predicted)
• LogP: 2.95640
• Storage Temp.: Refrigerator
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 450.09019258
• Heavy Atom Count: 31
• Complexity: 583

Purity/Quality:

98% ^*data from raw suppliers

(+)-α-Methoxy-α-(trifluoromethyl)phenylaceticAnhydride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 24/25-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC=CC=C1)(C(=O)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)C(F)(F)F
• Isomeric SMILES: CO[C@](C1=CC=CC=C1)(C(=O)OC(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)C(F)(F)F

Technology Process of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

There total 1 articles about [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate 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:

R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid (20445-31-2) → (R)-(+)-α-methoxy-α-(trifluoromethyl)phenylacetic acid anhydride (85541-57-7)

Guidance literature:

With oxalyl dichloride; at 80 ℃; for 6h;

DOI:10.1016/S0040-4020(00)00170-8

Reference yield: 39.0%

(R)-(+)-α-methoxy-α-(trifluoromethyl)phenylacetic acid anhydride (85541-57-7) + (3R,4S)-4-Hydroxy-4-phenyl-N-((S)-1-phenyl-ethyl)-3-trimethylsilanyl-butyramide (496944-24-2) → (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1S,2R)-1-phenyl-3-((S)-1-phenyl-ethylcarbamoyl)-2-trimethylsilanyl-propyl ester

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.3987/com-02-s(m)8

Reference yield: 22.0%

(R)-(+)-α-methoxy-α-(trifluoromethyl)phenylacetic acid anhydride (85541-57-7) + (3S,4R)-4-Hydroxy-4-phenyl-N-((S)-1-phenyl-ethyl)-3-trimethylsilanyl-butyramide (496944-38-8) → (R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1R,2S)-1-phenyl-3-((S)-1-phenyl-ethylcarbamoyl)-2-trimethylsilanyl-propyl ester

Guidance literature:

With dmap; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.3987/com-02-s(m)8

upstream raw materials:

R-(+)-α-trifluoromethyl-α-methoxy-phenylacetic acid

Downstream raw materials:

(3R,4S)-4-[allyl(tert-butoxycarbonyl)amino]pent-1-en-3-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate