124728-93-4

Basic information

• Product Name: 2,3-DIFLUORO-1-PROPOXYBENZENE
• Synonyms: 2,3-DIFLUORO-1-PROPOXYBENZENE;1-Propoxy-2,3-difluorobenzene;1,2-Difluoro-3-propoxybenzene;3-Propoxy-1,2-difluorobenzene
• CAS NO: 124728-93-4
• Molecular Formula: C₉H₁₀F₂O
• Molecular Weight: 172.17
• Mol File: 124728-93-4.mol

Chemical Properties

• Boiling Point: 189.5 °C at 760 mmHg
• Flash Point: 74.8 °C
• Appearance: /
• Density: 1.111 g/cm³
• Vapor Pressure: 0.785mmHg at 25°C
• Refractive Index: 1.457
• Storage Temp.: Keep Cold
• CAS DataBase Reference: 2,3-DIFLUORO-1-PROPOXYBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIFLUORO-1-PROPOXYBENZENE(124728-93-4)
• EPA Substance Registry System: 2,3-DIFLUORO-1-PROPOXYBENZENE(124728-93-4)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 124728-93-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2,3-Difluoro-1-propoxybenzene is used as a synthetic intermediate for the production of various pharmaceuticals. Its unique chemical structure allows for the development of new drugs with specific therapeutic properties, contributing to advancements in medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 2,3-difluoro-1-propoxybenzene serves as a key intermediate in the synthesis of pesticides and other crop protection agents. Its incorporation into these compounds can enhance their effectiveness in controlling pests and diseases, thereby improving agricultural productivity.
Used in Organic Synthesis:
2,3-Difluoro-1-propoxybenzene is utilized as a versatile building block in organic synthesis, enabling the creation of a wide range of organic compounds for various applications. Its reactivity and functional groups make it a valuable component in the synthesis of specialty chemicals, materials, and other complex organic molecules.

InChI:InChI=1/C9H10F2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3

Synthetic route

2,3-difluorophenol (6418-38-8) + 1-iodo-propane (107-08-4) → 1,2-difluoro-3-n-propoxybenzene (124728-93-4)

Conditions	Yield
With sodium carbonate In ethanol; water	92%

1-Chloropropane (540-54-5) + 2,3-difluorophenol (6418-38-8) → 1,2-difluoro-3-n-propoxybenzene (124728-93-4)

Conditions	Yield
With tetrabutylammomium bromide; potassium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale;	90.6%

1,2-difluoro-3-(prop-2-yn-1-yloxy)benzene (890840-88-7) + 7,8-difluoro-2H-chromene (1029476-86-5) → 7,8-difluoro-3,4-dihydro-1-benzopyran (1029476-87-6) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4)

Conditions	Yield
With hydrogen; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 1h;

propan-1-ol (71-23-8) + 1,2,3-trifluorobenzene (1489-53-8) → 1,2-difluoro-3-n-propoxybenzene (124728-93-4)

Conditions	Yield
With calcium hydroxide at 100℃; for 20h;

Trimethyl borate (121-43-7) + sec.-butyllithium (598-30-1) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2,3-difluoro-4-propyloxyphenyl boric acid

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; hexane	62%

N,N-dimethyl-formamide (68-12-2, 33513-42-7) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 4-Propoxy-2,3-difluorobenzaldehyde

Conditions	Yield
Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran; hexane at -78 - 20℃;

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-propyl-phenyl)-[1,3]dioxane

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 5-(4-butyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-pentyl-phenyl)-[1,3]dioxane

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2-(2,3-difluoro-4-propoxy-phenyl)-5-(2-fluoro-4-pentyl-phenyl)-[1,3]dioxane

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 5-(2,3-difluoro-4-pentyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-BuLi / hexane; tetrahydrofuran / -78 °C 1.2: hexane; tetrahydrofuran / -78 - 20 °C 2.1: p-toluenesulfonic acid / toluene / Heating View Scheme

4-(trans-4-n-propylcyclohexyl)cyclohexanone (82832-73-3) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → C24H36F2O2

Conditions	Yield
Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -75 - -70℃; for 2h; Inert atmosphere; Large scale; Stage #2: 4-(trans-4-n-propylcyclohexyl)cyclohexanone In tetrahydrofuran; hexane at -75 - -30℃; for 2.5h; Inert atmosphere; Large scale;

4-(trans-4-n-propylcyclohexyl)cyclohexanone (82832-73-3) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → C24H34F2O

Conditions	Yield
Multi-step reaction with 2 steps 1.1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 2 h / -75 - -70 °C / Inert atmosphere; Large scale 1.2: 2.5 h / -75 - -30 °C / Inert atmosphere; Large scale 2.1: toluene-4-sulfonic acid / toluene / 4 h / Reflux; Large scale View Scheme

4-(trans-4-n-pentylcyclohexyl)cyclohexanone (84868-02-0) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → C26H40F2O2

Conditions	Yield
Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -75 - -70℃; for 2h; Inert atmosphere; Large scale; Stage #2: 4-(trans-4-n-pentylcyclohexyl)cyclohexanone In tetrahydrofuran; hexane at -75 - -30℃; for 2.5h; Inert atmosphere; Large scale;

4-(trans-4-n-pentylcyclohexyl)cyclohexanone (84868-02-0) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → C26H38F2O

Conditions	Yield
Multi-step reaction with 2 steps 1.1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 2 h / -75 - -70 °C / Inert atmosphere; Large scale 1.2: 2.5 h / -75 - -30 °C / Inert atmosphere; Large scale 2.1: toluene-4-sulfonic acid / toluene / 4 h / Reflux; Large scale View Scheme

Trimethyl borate (121-43-7) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → (2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions	Yield
Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium; potassium tert-butylate In tetrahydrofuran; hexane at -78 - -70℃; for 0.5h; Inert atmosphere; Stage #2: Trimethyl borate In tetrahydrofuran; hexane for 0.5h; Stage #3: With hydrogenchloride In tetrahydrofuran; hexane; water at 20℃; for 1h;	8.2 g

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2-(2,3-difluoro-4-propoxyphenyl)-4,5-bis(trifluoromethyl)-7-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene

Conditions	Yield
Multi-step reaction with 2 steps 1.1: n-butyllithium; potassium tert-butylate / tetrahydrofuran; hexane / 0.5 h / -78 - -70 °C / Inert atmosphere 1.2: 0.5 h 1.3: 1 h / 20 °C 2.1: tetrakis(triphenylphosphine) palladium(0); sodium carbonate / water; toluene / Reflux; Inert atmosphere View Scheme

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 2,3-difluorophenol (6418-38-8)

Conditions	Yield
With iron(III) chloride In ethanol at 30℃; for 3h;	10.6 g

1,2-difluoro-3-n-propoxybenzene (124728-93-4) → 6-butoxy-2-(4-propyloxy-2,3-difluorophenyl)-3,4,5-trifluoronaphthalene

Conditions	Yield
Multi-step reaction with 2 steps 1: diisopropylamine; n-butyllithium / tetrahydrofuran; hexane / 1 h / -10 - -3 °C 2: triphenylphosphine; potassium carbonate; palladium diacetate / tetrahydrofuran; water / 5 h / Reflux View Scheme

Triisopropyl borate (5419-55-6) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → (2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -10 - -3℃; for 1h;	48 g

boric acid tributyl ester (688-74-4) + 1,2-difluoro-3-n-propoxybenzene (124728-93-4) → (2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions	Yield
Stage #1: 1,2-difluoro-3-n-propoxybenzene With n-butyllithium In 2-methyltetrahydrofuran; cyclohexane at -70 - -60℃; for 2h; Inert atmosphere; Stage #2: boric acid tributyl ester In 2-methyltetrahydrofuran; cyclohexane at -70 - -60℃; for 2h;

Upstream product

• 6418-38-8 2,3-difluorophenol 
• 107-08-4 1-iodo-propane 
• 890840-88-7 1,2-difluoro-3-(prop-2-yn-1-yloxy)benzene 
• 1029476-86-5 7,8-difluoro-2H-chromene 
• 540-54-5 1-Chloropropane 
• 71-23-8 propan-1-ol 
• 1489-53-8 1,2,3-trifluorobenzene 

Downstream Products

• 6418-38-8 2,3-difluorophenol 

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