3,4-Difluorobenzyl alcohol

Base Information

• Chemical Name: 3,4-Difluorobenzyl alcohol
• CAS No.: 85118-05-4
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29062990
• European Community (EC) Number: 285-657-3
• DSSTox Substance ID: DTXSID60234243
• Nikkaji Number: J307.997J
• Wikidata: Q72462618
• Mol file: 85118-05-4.mol

Synonyms:3,4-Difluorobenzyl alcohol;85118-05-4;(3,4-Difluorophenyl)methanol;Benzenemethanol, 3,4-difluoro-;(3,4-difluoro-phenyl)-methanol;EINECS 285-657-3;MFCD00010628;3,4-Difluorobenzenemethanol;3, 4-difluorobenzyl alcohol;SCHEMBL93021;3,4 -Difluorobenzyl Alcohol;(3,4-dif-luorophenyl)methanol;(3,4-difluoro phenyl)methanol;(3,4-difluorophenyl) methanol;(3,4-difluoro phenyl) methanol;(3,4-Difluorophenyl)methanol #;GNQLTCVBSGVGHC-UHFFFAOYSA-;DTXSID60234243;3,4-Difluorobenzyl alcohol, 99%;CK2477;3,4-Difluorobenzoic acid sodium salt;AKOS000249584;AC-9737;AM61659;CS-W016403;PS-8985;SB39025;AC-17029;SY023668;D2415;FT-0614284;A22582;EN300-1263454;Q-200342;F8882-0292

Chemical Property of 3,4-Difluorobenzyl alcohol

Chemical Property:

• Appearance/Colour: Clear colorless to very light yellow liquid
• Vapor Pressure: 0.194mmHg at 25°C
• Melting Point: 9oC
• Refractive Index: n20/D 1.49(lit.)
• Boiling Point: 200.899 °C at 760 mmHg
• PKA: 13?+-.0.10(Predicted)
• Flash Point: 97.778 °C
• PSA: 20.23000
• Density: 1.291 g/cm³
• LogP: 1.45710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,4-Difluorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CO)F)F

Technology Process of 3,4-Difluorobenzyl alcohol

There total 3 articles about 3,4-Difluorobenzyl alcohol 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: 90.0%

3,4 difluorobenzaldehyde (34036-07-2) → (3,4-difluorophenyl)methanol (85118-05-4)

Guidance literature:

With ammonium chloride; zinc; In tetrahydrofuran; water; at 20 ℃; for 0.333333h;

DOI:10.1002/ejoc.201700887

Reference yield: 50.0%

methyl 3,4-difluorobenzoate (369-25-5) → (3,4-difluorophenyl)methanol (85118-05-4)

Guidance literature:

With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh)₃(CO); hydrogen; In tetrahydrofuran; at 120 ℃; for 24h; under 37503.8 Torr; Inert atmosphere; Autoclave;

DOI:10.1039/c6cy02413k

Reference yield:

→ (3,4-difluorophenyl)methanol (85118-05-4)

Guidance literature:

With sodium tetrahydroborate; [fac-8-(2-diphenylphosphinoethyl)amidotrihydroquinoline]RuH(PPh₃)(CO); hydrogen; In tetrahydrofuran; at 120 ℃; for 24h; under 38002.6 Torr; Autoclave; Industrial scale;

upstream raw materials:

3,4 difluorobenzaldehyde

methyl 3,4-difluorobenzoate

Downstream raw materials:

7-((3,4-difluorobenzyl)oxy)-2,2-dimethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-5(1H)-one

3,4-difluorobenzylamine

alpha-bromo-3,4-difluorotoluene

Refernces

• 1、 Mandal, Tirtha,Jana, Snehasish,Dash, Jyotirmayee. "Zinc-Mediated Efficient and Selective Reduction of Carbonyl Compounds". . p. 4972 - 4983. Retrieved 2017/09/13.
• 2、 -. "Method for preparing alcohol through catalytic hydrogenation reduction of carboxylate". Paragraph 0023; 0025; 0040. . Retrieved 2016/12/07.