2-(2,3-Difluorophenyl)ethanol

Base Information

• Chemical Name: 2-(2,3-Difluorophenyl)ethanol
• CAS No.: 126163-30-2
• Molecular Formula: C8H8F2O
• Molecular Weight: 158.148
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID30378941
• Wikidata: Q82168543
• Mol file: 126163-30-2.mol

Synonyms:2-(2,3-Difluorophenyl)ethanol;126163-30-2;Benzeneethanol, 2,3-difluoro-;2,3-Difluorobenzeneethanol;2-(2,3-difluorophenyl)ethan-1-ol;2,3-Difluorophenethyl alcohol;SCHEMBL2339012;DTXSID30378941;RBNNHALDGIKSBZ-UHFFFAOYSA-N;3-Chloro-2,6-difluorophenylaceticacid;AKOS005254705;AB92778;AS-44358;CS-0157224;FT-0694435;EN300-129162;A889624;Z1183459328

Chemical Property of 2-(2,3-Difluorophenyl)ethanol

Chemical Property:

• Refractive Index: 1.4912
• Boiling Point: 112-114/15mm
• PKA: 14.57±0.10(Predicted)
• PSA: 20.23000
• Density: 1.233±0.06 g/cm3(Predicted)
• LogP: 1.49960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.05432120
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

99.00% ^*data from raw suppliers

2-(2,3-Difluorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)F)CCO
• Uses: 2-(2,3-Difluorophenyl)ethanol is used in preparation of pyrrolidine or piperidine derivative for T-type calcium channel antagonist.

Technology Process of 2-(2,3-Difluorophenyl)ethanol

There total 5 articles about 2-(2,3-Difluorophenyl)ethanol 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: 99.0%

2-(2,3-difluorophenyl)acetic acid (145689-41-4) → 2-(2,3-difluorophenyl)ethanol (126163-30-2)

Guidance literature:

2-(2,3-difluorophenyl)acetic acid; With dimethylsulfide borane complex; In tetrahydrofuran; for 4h; Reflux;

With methanol; In tetrahydrofuran; at 0 - 20 ℃; for 1h;

DOI:10.1021/jm3007933

Reference yield: 95.0%

methyl 2-(2,3-difluorophenyl)acetate (1036273-31-0) → 2-(2,3-difluorophenyl)ethanol (126163-30-2)

Guidance literature:

With sodium tetrahydridoborate; In tetrahydrofuran; methanol; for 6h; Reflux;

DOI:10.1021/acsmedchemlett.1c00549

Reference yield:

2-(2,3-Difluoro-phenyl)-acetaldehyde (866342-07-6) → 2-(2,3-difluorophenyl)ethanol (126163-30-2)

Guidance literature:

With potassium borohydride; In ethanol; at 0 ℃; for 3h;

upstream raw materials:

2-(2,3-difluorophenyl)acetic acid

2,3-difluorobenzaldehyde

2-(2,3-Difluoro-phenyl)-acetaldehyde

methyl 2-(2,3-difluorophenyl)acetate

Downstream raw materials:

C₂₆H₂₄FN₃O₄S

2-ethyl-3-fluoro-4-(methylsulfonyl)benzoic acid

1-(2-bromoethyl)-2,3-difluorobenzene

1-ethyl-2,3-difluorobenzene

Refernces

• 1、 -. "NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF". Paragraph 00235. . Retrieved 2020/12/01.
• 2、 Takeuchi, Craig S.,Kim, Byung Gyu,Blazey, Charles M.,Ma, Sunghoon,Johnson, Henry W. B.,Anand, Neel K.,Arcalas, Arlyn,Baik, Tae Gon,Buhr, Chris A.,Cannoy, Jonah,Epshteyn, Sergey,Joshi, Anagha,Lara, Katherine,Lee, Matthew S.,Wang, Longcheng,Leahy, James W.,Nuss, John M.,Aay, Naing,Aoyama, Ron,Foster, Paul,Lee, Jae,Lehoux, Isabelle,Munagala, Narsimha,Plonowski, Arthur,Rajan, Sharmila,Woolfrey, John,Yamaguchi, Kyoko,Lamb, Peter,Miller, Nicole. "Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR)". . p. 2218 - 2234. Retrieved 2013/05/22.