Product Name

  • Name

    3-Methoxy-1-butanol

  • EINECS 219-741-8
  • CAS No. 2517-43-3
  • Article Data7
  • CAS DataBase
  • Density 0.903 g/cm3
  • Solubility soluble in water
  • Melting Point -85 °C
  • Formula C5H12O2
  • Boiling Point 162.576 °C at 760 mmHg
  • Molecular Weight 104.149
  • Flash Point 46.667 °C
  • Transport Information UN 1987
  • Appearance Clear colourless liquid
  • Safety 16
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 2517-43-3 (3-Methoxy-1-butanol)
  • Hazard Symbols R10:;
  • Synonyms 3-Methoxybutanol;NSC 65580;1-Butanol,3-methoxy-;3-Methoxybutanol;3-methoxybutan-1-ol;1,3-butyleneglycol monomethyl ether;
  • PSA 29.46000
  • LogP 0.40370

Synthetic route

1-acetoxy-3-(chloromethoxy)butane
93185-29-6

1-acetoxy-3-(chloromethoxy)butane

3-methoxy butanol
2517-43-3

3-methoxy butanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In diethyl ether for 2h; Ambient temperature;80%
3-methoxybutanal
5281-76-5

3-methoxybutanal

3-methoxy butanol
2517-43-3

3-methoxy butanol

Conditions
ConditionsYield
With nickel; copper at 150 - 180℃; Hydrogenation;
With methanol; nickel pumice stone at 90 - 100℃; under 18387.7 Torr; Hydrogenation;
With nickel at 150 - 180℃; Hydrogenation;
(+-)-3-methoxy-butyric acid methyl ester

(+-)-3-methoxy-butyric acid methyl ester

3-methoxy butanol
2517-43-3

3-methoxy butanol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
4-methyl-1,3-dioxane
1120-97-4

4-methyl-1,3-dioxane

3-methoxy butanol
2517-43-3

3-methoxy butanol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 86 percent / ZnCl2 / pentane / 1 h
2: 80 percent / LiAlH4 / diethyl ether / 2 h / Ambient temperature
View Scheme
2-Methoxypropene
116-11-0

2-Methoxypropene

carbon monoxide
201230-82-2

carbon monoxide

3-methoxy butanol
2517-43-3

3-methoxy butanol

Conditions
ConditionsYield
With dicobalt octacarbonyl; triisobutylphosphane; hydrogen; zinc dibromide In tert-butyl methyl ether at 150℃; under 7500.75 - 97509.8 Torr; for 4h; Solvent; Reagent/catalyst; Temperature; Glovebox; Autoclave;
methanol
67-56-1

methanol

methyloxirane
75-56-9, 16033-71-9

methyloxirane

A

3-methoxy butanol
2517-43-3

3-methoxy butanol

B

propylene glycol methyl ether
41223-27-2

propylene glycol methyl ether

Conditions
ConditionsYield
With silica-P123-templated Ce doped Mg/Al-double oxide at 120℃; for 8h; Reagent/catalyst; Temperature; Concentration;
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

recorcinol
108-46-3

recorcinol

4-hydroxysalicylic acid
89-86-1

4-hydroxysalicylic acid

Conditions
ConditionsYield
With hydrogenchloride; sodium hydroxide; CO2 In water95.4%
With CO2; potassium carbonate In water87.4%
3-methoxy butanol
2517-43-3

3-methoxy butanol

(+)-3-methoxy-1-butanol

(+)-3-methoxy-1-butanol

Conditions
ConditionsYield
With phosphate buffer; propanoic acid methyl ester for 20h; Ambient temperature;93%
3-methoxy butanol
2517-43-3

3-methoxy butanol

cyanoacetic acid
372-09-8

cyanoacetic acid

3-methoxybutyl 2-cyanoacetate

3-methoxybutyl 2-cyanoacetate

Conditions
ConditionsYield
Stage #1: cyanoacetic acid With trifluoroacetic anhydride In acetonitrile at 22℃; for 3h; Inert atmosphere;
Stage #2: 3-methoxy butanol In acetonitrile at 22℃; for 3h;		91%
toluene-4-sulfonic acid In toluene Reflux;
3-methoxy butanol
2517-43-3

3-methoxy butanol

propanoic acid methyl ester
554-12-1

propanoic acid methyl ester

(-)-3-methoxy-1-butyl propionate

(-)-3-methoxy-1-butyl propionate

Conditions
ConditionsYield
With phosphate buffer for 20h; Ambient temperature; hog liver carboxylesterase catalyzed transesterification;88%
3-methoxy butanol
2517-43-3

3-methoxy butanol

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

3-Methoxybutyl methanesulfonate
428870-98-8

3-Methoxybutyl methanesulfonate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 2 - 20℃; for 3.5h;88%
With triethylamine In dichloromethane at 20℃; for 0.5h; Cooling with ice bath;
3-methoxy butanol
2517-43-3

3-methoxy butanol

ethylaluminum dichloride
563-43-9

ethylaluminum dichloride

0.76[Cl2Al(OCH2CH2CHCH3OCH3)]2*0.24[Cl2Al(OCH2CH2CHCH3OCH3)]2

0.76[Cl2Al(OCH2CH2CHCH3OCH3)]2*0.24[Cl2Al(OCH2CH2CHCH3OCH3)]2

Conditions
ConditionsYield
In hexane (Ar); slow addn. of a soln. of alcohol in hexane to a soln. of aluminiumcompd. in hexane at 0°C; evapn., drying in vac., crystn. (C6H6, 10°C, 1 wk); elem. anal.;87%
3-methoxy butanol
2517-43-3

3-methoxy butanol

ethyl 2-diazo-3-(hydroxy(methyl)amino)-3-oxopropanoate
1441119-58-9

ethyl 2-diazo-3-(hydroxy(methyl)amino)-3-oxopropanoate

ethyl 2-diazo-3-[(3-methoxybutoxy)(methyl)amino]-3-oxopropanoate

ethyl 2-diazo-3-[(3-methoxybutoxy)(methyl)amino]-3-oxopropanoate

Conditions
ConditionsYield
With di-tert-butyl-diazodicarboxylate; triphenylphosphine In dichloromethane at 20℃; for 25h; Mitsunobu Displacement; Inert atmosphere;86%
3-methoxy butanol
2517-43-3

3-methoxy butanol

dichloro{bis[2-(diphenylphosphino)ethyl]amine}ruthenium(II) dimer

dichloro{bis[2-(diphenylphosphino)ethyl]amine}ruthenium(II) dimer

[carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II)
1295649-40-9

[carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II)

Conditions
ConditionsYield
With sodium methylate for 1h; Reagent/catalyst; Inert atmosphere; Reflux;84.6%
but-3-enoic acid
625-38-7

but-3-enoic acid

3-methoxy butanol
2517-43-3

3-methoxy butanol

3-methoxy-1-butyl-3-butenoate

3-methoxy-1-butyl-3-butenoate

Conditions
ConditionsYield
With toluene-4-sulfonic acid In toluene at 130℃; for 4h; Dean-Stark; Inert atmosphere;80%
3-methoxy butanol
2517-43-3

3-methoxy butanol

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene
18880-00-7

1-(bromomethyl)-4-(1,1-dimethylethyl)benzene

A

4-tert-Butylbenzyl alcohol
877-65-6

4-tert-Butylbenzyl alcohol

B

bis(4-tert-butyl)benzyl ether
56428-01-4

bis(4-tert-butyl)benzyl ether

C

4-tert-butylbenzyl 3-methoxybutyl ether

4-tert-butylbenzyl 3-methoxybutyl ether

Conditions
ConditionsYield
With sodium hydroxide; 5,11,17,23-tetramethoxy-25,26,27,28-tetrakis(trimethylammoniomethyl)calix<4>arene tetrachloride at 60℃; for 3h;A 6%
B 4%
C 78%
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

carbon monoxide
201230-82-2

carbon monoxide

hex-1-yne
693-02-7

hex-1-yne

C12H22O3

C12H22O3

Conditions
ConditionsYield
With methanesulfonic acid; C29H33N2P; palladium dichloride In acetonitrile Glovebox; Sealed tube; Inert atmosphere; Autoclave; regioselective reaction;78%
...Expand
[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2
52462-29-0

[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2

3-methoxy butanol
2517-43-3

3-methoxy butanol

bis(2-(dicyclohexylphosphanyl)ethyl)amine
550373-32-5

bis(2-(dicyclohexylphosphanyl)ethyl)amine

carbonyl chlorohydride{bis[2-(dicyclohexylphosphino)ethyl]amine}ruthenium(II)
1421060-11-8

carbonyl chlorohydride{bis[2-(dicyclohexylphosphino)ethyl]amine}ruthenium(II)

Conditions
ConditionsYield
Stage #1: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; 3-methoxy butanol; bis[2-(dicyclohexylphosphanyl)ethyl]amine for 1h; Inert atmosphere; Reflux;
Stage #2: With sodium ethanolate for 1h; Inert atmosphere; Reflux;		77.8%
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

cyclohexane
110-82-7

cyclohexane

carbon monoxide
201230-82-2

carbon monoxide

C12H22O3

C12H22O3

Conditions
ConditionsYield
With 1,10-Phenanthroline; di-tert-butyl peroxide; copper dichloride at 120℃; under 15001.5 Torr; for 24h; Autoclave; Inert atmosphere;77%
...Expand
[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2
52462-29-0

[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2

3-methoxy butanol
2517-43-3

3-methoxy butanol

bis(2-(diphenylphosphino)ethyl)amine hydrochloride
66534-97-2

bis(2-(diphenylphosphino)ethyl)amine hydrochloride

[carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II)
1295649-40-9

[carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II)

Conditions
ConditionsYield
Stage #1: 3-methoxy butanol; bis(2-(diphenylphosphino)ethyl)amine hydrochloride With sodium methylate at 20℃; for 0.5h; Inert atmosphere;
Stage #2: [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2 for 1h; Reagent/catalyst; Reflux; Inert atmosphere;		76.6%
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
38339-95-6

4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide

4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-methoxybut-1-yl)oxybenzamid
114614-51-6

4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-methoxybut-1-yl)oxybenzamid

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran76%
3-methoxy butanol
2517-43-3

3-methoxy butanol

3-methoxybutanal
5281-76-5

3-methoxybutanal

Conditions
ConditionsYield
With Dess-Martin periodane In dichloromethane at 20℃; for 0.5h; Inert atmosphere;71%
With perchloric acid; N-bromoacetamide In water; acetic acid at 303℃; Thermodynamic data; Kinetics; Rate constant; other temperatures; ΔH(excit.), ΔS(excit.), ΔF(excit.);
With pyridinium chlorochromate In dimethyl sulfoxide for 6h; Kinetics; Mechanism; Thermodynamic data; Εa, log A, ΔS(excit.), ΔG(excit.);
carbon disulfide
75-15-0

carbon disulfide

3-methoxy butanol
2517-43-3

3-methoxy butanol

potassium 3-methoxy-1-butylxanthate

potassium 3-methoxy-1-butylxanthate

Conditions
ConditionsYield
Stage #1: 3-methoxy butanol With potassium hydroxide at 20℃; for 2h;
Stage #2: carbon disulfide		70.3%
3-methoxy butanol
2517-43-3

3-methoxy butanol

n-octyne
629-05-0

n-octyne

carbon monoxide
201230-82-2

carbon monoxide

C14H26O3

C14H26O3

Conditions
ConditionsYield
With methanesulfonic acid; C29H33N2P; palladium dichloride In acetonitrile Glovebox; Sealed tube; Inert atmosphere; Autoclave; regioselective reaction;70%
...Expand
(RS)-2-phenylcyclohexanone
1444-65-1

(RS)-2-phenylcyclohexanone

3-methoxy butanol
2517-43-3

3-methoxy butanol

3-methoxybutyl 6-oxo-6-phenylhexanoate

3-methoxybutyl 6-oxo-6-phenylhexanoate

Conditions
ConditionsYield
With sulfuric acid; aurin; oxygen In toluene at 20℃; for 24h; Schlenk technique; Irradiation;63%
indole
120-72-9

indole

3-methoxy butanol
2517-43-3

3-methoxy butanol

hexaketocyclohexane
527-31-1

hexaketocyclohexane

3-methoxybutyl 2-(1H-indol-3-yl)-2-oxoacetate

3-methoxybutyl 2-(1H-indol-3-yl)-2-oxoacetate

Conditions
ConditionsYield
With 1,10-Phenanthroline; copper(I) bromide dimethylsulfide complex; silver carbonate; trifluoroacetic acid In acetonitrile at 80℃; for 20h; Sealed tube;61%
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

2-trifluoromethylbenzenesulfonyl chloride
776-04-5

2-trifluoromethylbenzenesulfonyl chloride

3-methoxybutyl 2-(trifluoromethyl)benzenesulfonate

3-methoxybutyl 2-(trifluoromethyl)benzenesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 2h;50%
With triethanolamine In dichloromethane
3-methoxy butanol
2517-43-3

3-methoxy butanol

4-(3-pyrazolyl)phenol

4-(3-pyrazolyl)phenol

3-[4-(3-methoxybutoxy)phenyl]pyrazole

3-[4-(3-methoxybutoxy)phenyl]pyrazole

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 20℃; for 16h; Mitsunobu reaction;47%
3-methoxy butanol
2517-43-3

3-methoxy butanol

4-trifluorophenylsulfonyl chloride
2991-42-6

4-trifluorophenylsulfonyl chloride

3-methoxybutyl 4-(trifluoromethyl)benzenesulfonate

3-methoxybutyl 4-(trifluoromethyl)benzenesulfonate

Conditions
ConditionsYield
With pyridine at 20℃; for 3.5h;40%
In pyridine40%
3-methoxy butanol
2517-43-3

3-methoxy butanol

pentafluorobenzenesulonyl chloride
832-53-1

pentafluorobenzenesulonyl chloride

3-methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate

3-methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 4h;36%
3-methoxy butanol
2517-43-3

3-methoxy butanol

pentafluorobenzenesulonyl chloride
832-53-1

pentafluorobenzenesulonyl chloride

sodium hydrogencarbonate
144-55-8

sodium hydrogencarbonate

3-methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate

3-methoxybutyl 2,3,4,5,6-pentafluorobenzenesulfonate

Conditions
ConditionsYield
With triethanolamine In dichloromethane; ethyl acetate36%
...Expand
3-methoxy butanol
2517-43-3

3-methoxy butanol

1,7-dibromo-N,N'-bis(2,6-diisopropylphenyl)perylene-3,4:9,10-tetracarboxylic acid diimide
331861-94-0

1,7-dibromo-N,N'-bis(2,6-diisopropylphenyl)perylene-3,4:9,10-tetracarboxylic acid diimide

N,N′-bis(2,6-diisopropylphenyl)-1-bromo-7-(3-methoxybutoxy)perylene-3,4,9,10-tetracarboxylic diimide

N,N′-bis(2,6-diisopropylphenyl)-1-bromo-7-(3-methoxybutoxy)perylene-3,4,9,10-tetracarboxylic diimide

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h; Inert atmosphere;19%
Adipic acid
124-04-9

Adipic acid

3-methoxy butanol
2517-43-3

3-methoxy butanol

adipic acid bis-(3-methoxy-butyl ester)
59089-92-8

adipic acid bis-(3-methoxy-butyl ester)

Conditions
ConditionsYield
With toluene-4-sulfonic acid
3-methoxy butanol
2517-43-3

3-methoxy butanol

1-chloro-3-methoxy-butane
4446-87-1

1-chloro-3-methoxy-butane

Conditions
ConditionsYield
With pyridine; thionyl chloride

3-Methoxy-1-butanol Specification

The 3-Methoxy-1-butanol with cas registry number of 2517-43-3, is also called 3-Methoxybutanol ; 1-Butanol,3-methoxy- .The 3-Methoxy-1-butanol belongs to the following product categorie: (1)Alcohols; (2)C2 to C6; (3)Oxygen Compounds .

Physical properties of 3-Methoxy-1-butanol :(1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.14; (8)ACD/KOC (pH 7.4): 23.14; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 28.45 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 11.27×10-24cm3; (17)Surface Tension: 27.8 dyne/cm; (18)Enthalpy of Vaporization: 46.48 kJ/mol; (19)Vapour Pressure: 0.738 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-Methoxy-1-butanol is flammable, so keep it away from sources of ignition.

You can still convert the following datas into molecular structure: (1)SMILES:OCCC(OC)C; (2)InChI:InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (3)InChIKey:JSGVZVOGOQILFM-UHFFFAOYAT; (4)Std. InChI:InChI=1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3; (5)Std. InChIKey:JSGVZVOGOQILFM-UHFFFAOYSA-N .

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