3,3-Difluoro-2-hydroxy-3-phenylpropanoic acid

Base Information

• Chemical Name: 3,3-Difluoro-2-hydroxy-3-phenylpropanoic acid
• CAS No.: 762292-95-5
• Molecular Formula: C₉H₈F₂O₃
• Molecular Weight: 202.158
• Hs Code.: 2918199890
• European Community (EC) Number: 839-454-7
• Mol file: 762292-95-5.mol

Synonyms:3,3-difluoro-2-hydroxy-3-phenylpropanoic acid;762292-95-5;3,3-Difluoro-2-hydroxy-3-phenylpropionic acid;SCHEMBL4652167;JCELIJYTLDZTOR-UHFFFAOYSA-N;MFCD01862082;AKOS016038739;EN300-1870231

Chemical Property of 3,3-Difluoro-2-hydroxy-3-phenylpropanoic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 202.04415044
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

3,3-Difluoro-2-hydroxy-3-phenylpropionicacid 95 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

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

Technology Process of 3,3-Difluoro-2-hydroxy-3-phenylpropanoic acid

There total 10 articles about 3,3-Difluoro-2-hydroxy-3-phenylpropanoic 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: 62.0%

3,3-Difluoro-2-oxo-3-phenylpropanoic acid (144156-73-0) → 2-amino-3,3-difluoro-3-phenylpropionic acid (762292-90-0) + 3,3-difluoro-2-hydroxy-3-phenylpropionic acid (762292-95-5)

Guidance literature:

3,3-Difluoro-2-oxo-3-phenylpropanoic acid; With ammonium hydroxide; at 100 ℃; atmospheric pressure;

With sodium tetrahydroborate; In water; Further stages.;

DOI:10.1016/j.tet.2004.06.086

Reference yield:

α-fluorostyrene (696-31-1) → 3,3-difluoro-2-hydroxy-3-phenylpropionic acid (762292-95-5)

Guidance literature:

Multi-step reaction with 9 steps

1.1: 91 percent / Et₃N*3HF; N-bromosuccinimide / CH₂Cl₂ / 25 °C

2.1: 86 percent / 1,4,7,10,13,16-hexaoxacyclooctadecane / dimethylformamide / 15 h / 150 °C

3.1: 97 percent / aq. NaOH / ethanol / 2 h / 25 °C

4.1: 99 percent / (COCl)2; DMSO; Et₃N / CH₂Cl₂ / 6 h / 25 °C

5.1: 71 percent / aq. sodium metabisulfite / 1 h / 25 °C

6.1: 84 percent / HCl / 4 h / 25 °C

7.1: 95 percent / 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one / CH₂Cl₂ / 5 h / 25 °C

8.1: 94 percent / aq. NaHCO₃ / propan-2-ol / 24 h / 50 °C

9.1: aq. NH₃ / 5 h / 60 °C

9.2: 29 percent / NaBH₄ / H₂O / 0.5 h / 25 °C

With hydrogenchloride; ammonium hydroxide; sodium hydroxide; sodium disulfite; N-Bromosuccinimide; oxalyl dichloride; 18-crown-6 ether; sodium hydrogencarbonate; Dess-Martin periodane; dimethyl sulfoxide; triethylamine tris(hydrogen fluoride); triethylamine; In ethanol; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol; 4.1: Swern oxidation / 7.1: Dess-Martin oxidation;

DOI:10.1016/j.tet.2004.06.086

Reference yield:

(2-bromo-1-fluoroethyl)benzene (1786-36-3) → 3,3-difluoro-2-hydroxy-3-phenylpropionic acid (762292-95-5)

Guidance literature:

Multi-step reaction with 10 steps

1.1: 81 percent / t-BuOK / tetrahydrofuran / 2 h / 25 °C

2.1: 91 percent / Et₃N*3HF; N-bromosuccinimide / CH₂Cl₂ / 25 °C

3.1: 86 percent / 1,4,7,10,13,16-hexaoxacyclooctadecane / dimethylformamide / 15 h / 150 °C

4.1: 97 percent / aq. NaOH / ethanol / 2 h / 25 °C

5.1: 99 percent / (COCl)2; DMSO; Et₃N / CH₂Cl₂ / 6 h / 25 °C

6.1: 71 percent / aq. sodium metabisulfite / 1 h / 25 °C

7.1: 84 percent / HCl / 4 h / 25 °C

8.1: 95 percent / 1,1,1-triacetoxy-1,1-dihydro-1,2-benziodoxol-3(1H)-one / CH₂Cl₂ / 5 h / 25 °C

9.1: 94 percent / aq. NaHCO₃ / propan-2-ol / 24 h / 50 °C

10.1: aq. NH₃ / 5 h / 60 °C

10.2: 29 percent / NaBH₄ / H₂O / 0.5 h / 25 °C

With hydrogenchloride; ammonium hydroxide; sodium hydroxide; sodium disulfite; N-Bromosuccinimide; oxalyl dichloride; 18-crown-6 ether; potassium tert-butylate; sodium hydrogencarbonate; Dess-Martin periodane; dimethyl sulfoxide; triethylamine tris(hydrogen fluoride); triethylamine; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide; isopropyl alcohol; 5.1: Swern oxidation / 8.1: Dess-Martin oxidation;

DOI:10.1016/j.tet.2004.06.086

upstream raw materials:

3,3-Difluoro-2-oxo-3-phenylpropanoic acid

α-fluorostyrene

(2-bromo-1-fluoroethyl)benzene

α,α-difluoro-α-phenylacetaldehyde

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