1-Ethoxy-2,2-difluoroethanol

Base Information

• Chemical Name: 1-Ethoxy-2,2-difluoroethanol
• CAS No.: 148992-43-2
• Molecular Formula: C4H8 F2 O2
• Molecular Weight: 126.103
• European Community (EC) Number: 679-865-7
• DSSTox Substance ID: DTXSID40374237
• Nikkaji Number: J531.718E
• Mol file: 148992-43-2.mol

Synonyms:1-Ethoxy-2,2-difluoroethanol;148992-43-2;Difluoroacetaldehyde Ethyl Hemiacetal;1-ethoxy-2,2-difluoroethan-1-ol;MFCD01321160;C4H8F2O2;SCHEMBL635097;1-Ethoxy-2,2-difluoro-ethanol;DTXSID40374237;difluoroacetaldehyde ethylhemiacetal;difluroacetaldehyde ethyl hemiacetal;Ethanol, 1-ethoxy-2,2-difluoro-;BBL103964;STL557774;AKOS015838744;AM803241;AS-48264;SY007828;CS-0179771;D2523;FT-0691024;EN300-64372;F30106;J-008539

Chemical Property of 1-Ethoxy-2,2-difluoroethanol

Chemical Property:

• Vapor Pressure: 44.9mmHg at 25°C
• Refractive Index: 1.356
• Boiling Point: 85.1°C at 760 mmHg
• PKA: 11.11±0.20(Predicted)
• Flash Point: 46.2°C
• PSA: 29.46000
• Density: 1.145g/cm³
• LogP: 0.60640
• Storage Temp.: Refrigerator
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 126.04923582
• Heavy Atom Count: 8
• Complexity: 58

Purity/Quality:

99.9% ^*data from raw suppliers

1-Ethoxy-2,2-difluoroethanol ^*data from reagent suppliers

Safty Information:

• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(F)F)O

Technology Process of 1-Ethoxy-2,2-difluoroethanol

There total 5 articles about 1-Ethoxy-2,2-difluoroethanol 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: 100.0%

ethyl difluoroacetate (454-31-9) → 1-ethoxy-2,2-difluoroethanol (148992-43-2)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; at -78 ℃; for 2.75h;

Reference yield:

ethyl difluoroacetate (454-31-9) → difluoroethanol (359-13-7) + difluoroacetaldehyde methyl hemiacetal (129660-32-8) + 1-ethoxy-2,2-difluoroethanol (148992-43-2)

Guidance literature:

With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate; In methanol; at 15 ℃; for 8.16667h; under 7500.75 Torr; Pressure;

Reference yield:

difluoroacetic acid methyl ester (433-53-4) + acetic acid (64-19-7,77671-22-8) → difluoroacetaldehyde methyl hemiacetal (129660-32-8) + C4H6F4O2 + C6H10F4O3 + 1-ethoxy-2,2-difluoroethanol (148992-43-2)

Guidance literature:

difluoroacetic acid methyl ester; With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); hydrogen; sodium methylate; In methanol; at 15 ℃; for 8h; under 7500.75 Torr; Large scale;

acetic acid; In methanol; at 66 ℃; under 15.7516 Torr; Reagent/catalyst; Solvent; Pressure; Temperature; Large scale;

upstream raw materials:

ethyl difluoroacetate

ethanol

difluoroacetic acid methyl ester

acetic acid

Downstream raw materials:

C₉H₈ClF₂N

2,2-difluoro-1-phenyl-ethanol

Refernces

• 1、 -. "IMIDAZO[1,2-B]PYRIDAZINE IL-17A INHIBITORS". Page/Page column 17-18; 42-43. . Retrieved 2020/07/25.
• 2、 -. "Preservation method of alpha, alpha-difluoroacetaldehyde alkyl hemiacetal". Paragraph 0114; 0115. . Retrieved 2017/12/28.