2,2-Difluoropropanol

Base Information

• Chemical Name: 2,2-Difluoropropanol
• CAS No.: 33420-52-9
• Molecular Formula: C3H6F2O
• Molecular Weight: 96.0768
• Hs Code.: 2905590090
• European Community (EC) Number: 674-867-4
• DSSTox Substance ID: DTXSID20539226
• Nikkaji Number: J1.405.496K
• Wikidata: Q72464098
• Mol file: 33420-52-9.mol

Synonyms:2,2-Difluoropropanol;33420-52-9;2,2-Difluoropropan-1-ol;2,2-difluoro-propan-1-ol;2,2-Difluoro-1-propanol;MFCD07782150;1-Propanol, 2,2-difluoro-;AMY1243;DTXSID20539226;BCP15466;2 pound not2-Difluoro-propan-1-ol;AKOS005063322;CS-W004324;SB36658;SY029658;A5958;NS00134254;EN300-188820;A1-00495;J-506796

Chemical Property of 2,2-Difluoropropanol

Chemical Property:

• Refractive Index: n20/D1.349
• Boiling Point: 90.257 °C at 760 mmHg
• PKA: 13.91±0.10(Predicted)
• Flash Point: 8.388 °C
• PSA: 20.23000
• Density: 1.111 g/cm³
• LogP: 0.63390
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 96.03867113
• Heavy Atom Count: 6
• Complexity: 44.1

Purity/Quality:

99% ^*data from raw suppliers

2,2-Difluoropropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F,Xn
• Statements: 10-22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CO)(F)F
• Uses: 2,2-Difluoropropanol is used in organic synthesis and pharmaceutical intermediates.

Technology Process of 2,2-Difluoropropanol

There total 4 articles about 2,2-Difluoropropanol 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: 95.0%

2,2-difluoropropyl fluorosulfite (97006-65-0) → 2,2-difluoropropan-1-ol (33420-52-9)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 2h;

Reference yield: 65.0%

methyl 2,2-difluoropropionate (38650-84-9) → 2,2-difluoropropan-1-ol (33420-52-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; Inert atmosphere; Cooling with ice;

Reference yield: 29.0%

Benzoic acid 2,2-difluoropropyl ester (784193-14-2) → 2,2-difluoropropan-1-ol (33420-52-9)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 50 ℃; for 17h;

upstream raw materials:

3-chloro-2-fluoro-1-propanol

2,2-difluoropropyl fluorosulfite

Benzoic acid 2,2-difluoropropyl ester

methyl 2,2-difluoropropionate

Downstream raw materials:

C₉H₈BrF₂NO₃

2,2-difluoropropyl 4-nitrobenzenesulfonate

2,2-difluoropropyl 4-methylbenzenesulfonate

Refernces

• 1、 -. "NOVEL INHIBITORS". Page/Page column 69; 125. . Retrieved 2014/09/29.
• 2、 -. "METHOD FOR PRODUCING -FLUOROALCOHOL". Paragraph 0050. . Retrieved 2013/11/05.