Product Name

  • Name

    2,3-DIFLUORO-1-PROPOXYBENZENE

  • EINECS
  • CAS No. 124728-93-4
  • Article Data4
  • CAS DataBase
  • Density 1.111 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H10F2O
  • Boiling Point 189.5 °C at 760 mmHg
  • Molecular Weight 172.175
  • Flash Point 74.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 124728-93-4 (2,3-DIFLUORO-1-PROPOXYBENZENE)
  • Hazard Symbols IrritantXi
  • Synonyms 1,2-Difluoro-3-propyloxybenzene;2,3-Difluoro-1-propyloxybenzene;2,3-Difluorophenyl propyl ether;3-Propoxy-1,2-difluorobenzene;
  • PSA 9.23000
  • LogP 2.75360

Synthetic route

2,3-difluorophenol
6418-38-8

2,3-difluorophenol

1-iodo-propane
107-08-4

1-iodo-propane

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

Conditions
ConditionsYield
With sodium carbonate In ethanol; water92%
1-Chloropropane
540-54-5

1-Chloropropane

2,3-difluorophenol
6418-38-8

2,3-difluorophenol

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

Conditions
ConditionsYield
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

1,2-difluoro-3-(prop-2-yn-1-yloxy)benzene

7,8-difluoro-2H-chromene
1029476-86-5

7,8-difluoro-2H-chromene

A

7,8-difluoro-3,4-dihydro-1-benzopyran
1029476-87-6

7,8-difluoro-3,4-dihydro-1-benzopyran

B

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

Conditions
ConditionsYield
With hydrogen; 5%-palladium/activated carbon In tetrahydrofuran at 20℃; for 1h;
propan-1-ol
71-23-8

propan-1-ol

1,2,3-trifluorobenzene
1489-53-8

1,2,3-trifluorobenzene

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

Conditions
ConditionsYield
With calcium hydroxide at 100℃; for 20h;
Trimethyl borate
121-43-7

Trimethyl borate

sec.-butyllithium
598-30-1

sec.-butyllithium

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

2,3-difluoro-4-propyloxyphenyl boric acid

2,3-difluoro-4-propyloxyphenyl boric acid

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; hexane62%
N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

4-Propoxy-2,3-difluorobenzaldehyde

4-Propoxy-2,3-difluorobenzaldehyde

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-propyl-phenyl)-[1,3]dioxane

2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-propyl-phenyl)-[1,3]dioxane

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

5-(4-butyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

5-(4-butyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-pentyl-phenyl)-[1,3]dioxane

2-(2,3-difluoro-4-propoxy-phenyl)-5-(4-pentyl-phenyl)-[1,3]dioxane

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

2-(2,3-difluoro-4-propoxy-phenyl)-5-(2-fluoro-4-pentyl-phenyl)-[1,3]dioxane

2-(2,3-difluoro-4-propoxy-phenyl)-5-(2-fluoro-4-pentyl-phenyl)-[1,3]dioxane

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

5-(2,3-difluoro-4-pentyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

5-(2,3-difluoro-4-pentyl-phenyl)-2-(2,3-difluoro-4-propoxy-phenyl)-[1,3]dioxane

Conditions
ConditionsYield
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

4-(trans-4-n-propylcyclohexyl)cyclohexanone

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

C24H36F2O2

C24H36F2O2

Conditions
ConditionsYield
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

4-(trans-4-n-propylcyclohexyl)cyclohexanone

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

C24H34F2O

C24H34F2O

Conditions
ConditionsYield
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

4-(trans-4-n-pentylcyclohexyl)cyclohexanone

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

C26H40F2O2

C26H40F2O2

Conditions
ConditionsYield
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

4-(trans-4-n-pentylcyclohexyl)cyclohexanone

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

C26H38F2O

C26H38F2O

Conditions
ConditionsYield
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

Trimethyl borate

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

(2,3-difluoro-4-propoxyphenyl)boronic acid

(2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

2-(2,3-difluoro-4-propoxyphenyl)-4,5-bis(trifluoromethyl)-7-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene

2-(2,3-difluoro-4-propoxyphenyl)-4,5-bis(trifluoromethyl)-7-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene

Conditions
ConditionsYield
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

1,2-difluoro-3-n-propoxybenzene

2,3-difluorophenol
6418-38-8

2,3-difluorophenol

Conditions
ConditionsYield
With iron(III) chloride In ethanol at 30℃; for 3h;10.6 g
1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

6-butoxy-2-(4-propyloxy-2,3-difluorophenyl)-3,4,5-trifluoronaphthalene

6-butoxy-2-(4-propyloxy-2,3-difluorophenyl)-3,4,5-trifluoronaphthalene

Conditions
ConditionsYield
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

Triisopropyl borate

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

(2,3-difluoro-4-propoxyphenyl)boronic acid

(2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions
ConditionsYield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -10 - -3℃; for 1h;48 g
boric acid tributyl ester
688-74-4

boric acid tributyl ester

1,2-difluoro-3-n-propoxybenzene
124728-93-4

1,2-difluoro-3-n-propoxybenzene

(2,3-difluoro-4-propoxyphenyl)boronic acid

(2,3-difluoro-4-propoxyphenyl)boronic acid

Conditions
ConditionsYield
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;

Benzene,1,2-difluoro-3-propoxy- Specification

The Benzene, 1, 2-difluoro-3-propoxy-, with the CAS registry number of 124728-93-4, is also known as 1-Propoxy-2, 3-difluorobenzene. This chemical's molecular formula is C9H10F2O and molecular weight is 172.17. What's more, its IUPAC name is 1, 2-Difluoro-3-propoxybenzene. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, this chemical must be kept in cold storage.

Physical properties about Benzene, 1, 2-difluoro-3-propoxy- are: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.21; (5)ACD/BCF (pH 5.5): 161.97; (6)ACD/BCF (pH 7.4): 161.97; (7)ACD/KOC (pH 5.5): 1327.77; (8)ACD/KOC (pH 7.4): 1327.77; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 154.8 cm3; (16)Surface Tension: 28.4 dyne/cm; (17)Density: 1.111 g/cm3; (18)Flash Point: 74.8 °C; (19)Enthalpy of Vaporization: 40.83 kJ/mol; (20)Boiling Point: 189.5 °C at 760 mmHg; (21)Vapour Pressure: 0.785 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc(OCCC)c1F
(2) InChI: InChI=1/C9H10F2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h3-5H,2,6H2,1H3
(3) InChIKey: NWZJQVBKARIQNT-UHFFFAOYAH

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