3-Methyl-3-methoxybutanol supplier

Name
3-Methyl-3-methoxybutanol
EINECS 260-252-4
CAS No. 56539-66-3
Article Data7
CAS DataBase
Density 0.898 g/cm³
Solubility Soluble in water.
Melting Point -50 °C
Formula C₆H₁₄O₂
Boiling Point 164.2 °C at 760 mmHg
Molecular Weight 118.176
Flash Point 51.6 °C
Transport Information
Appearance clear colourless liquid
Safety 23-24/25-36/37/39-26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methoxy-3-methyl-1-butanol;3-Methoxy-3-methyl-1-butyl alcohol;3-Methoxy-3-methylbutan-1-ol;3-Methoxy-3-methylbutanol;3-Methyl-3-(methyloxy)butan-1-ol;3-Methyl-3-methoxy-1-butanol;3-Methyl-3-methoxy-1-hydroxybutane;3-Methyl-3-methoxybutanol;Solfit;Solfit S 110;
PSA 29.46000
LogP 0.79380

Synthetic route

: 766-15-4
4,4-dimethyl-1,3-dioxane

: 56539-66-3
solfit

Conditions

Conditions	Yield
With diisobutylaluminium hydride In benzene for 2h; Heating;	90%

: 763-32-6
2-methyl-1-buten-4-ol

: 67-56-1
methanol

: 56539-66-3
solfit

Conditions

Conditions	Yield
With sodium iodide at 40 - 50℃; Green chemistry;	51%
With Na34[{MoVI6O21(H2O)6}12{(MoV2O4)30(OAc)22(H2O)16}] In water-d2 at 65℃; for 65h;

: 766-15-4
4,4-dimethyl-1,3-dioxane

: 67-56-1
methanol

: 56539-66-3
solfit

Conditions

Conditions	Yield
With sulfuric acid
With sulfuric acid at 40 - 90℃;

: 766-15-4
4,4-dimethyl-1,3-dioxane

A: 2568-33-4
3-methyl-butane-1,3-diol

B: 56539-66-3
solfit

Conditions

Conditions	Yield
With porous sulfonic acid type strongly acidic ion exchange resin In methanol at 55℃; for 1h;

: 56539-66-3
solfit

: 98-59-9
p-toluenesulfonyl chloride

: 869370-01-4
3-methoxy-3-methylbutyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃; for 16h;	95.5%
With pyridine at 0 - 20℃; for 16h; Inert atmosphere;	78%
With triethylamine In dichloromethane at 20℃; for 3h;	49%
With pyridine at 0 - 20℃;
With triethylamine In dichloromethane at 20℃; for 21h;

: 56539-66-3
solfit

: 563-43-9
ethylaluminum dichloride

: 463966-53-2
[Cl2Al(OCH2CH2C(CH3)2OCH3)]2

Conditions

Conditions	Yield
In hexane (Ar); slow addn. of a soln. of alcohol in hexane to a soln. of aluminiumcompd. in hexane at 0°C, stirring for 0.5 h, slow warming to roo m temp.; evapn., drying in vac. crystn. (toluene, 5°C, 3 d); elem. anal.;	91%

: trimethylaluminium dimer

: 56539-66-3
solfit

: [(CH3)2Al(μ-O-CH2CH2C(CH3)2-OCH3)]2

Conditions

Conditions	Yield
In pentane byproducts: CH4; Ar-atmosphere; dropwise addn. of ligand to AlMe3 at -78°C, stirring for 2 h, then at room temp. for 12 h; solvent removal (vac.), dissoln. in PhMe, crystn. (-30°C); elem. anal.;	91%

: 56539-66-3
solfit

: 98-59-9
p-toluenesulfonyl chloride

: methoxy-3-methylbutyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 20℃;	91%

: 56539-66-3
solfit

: 181134-54-3
3-methoxy-3-methylbutanal

Conditions

Conditions	Yield
Swern oxidation;	89%
With pyridine; oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -78 - 4℃; for 1.25h; Swern oxidation;	89%
With oxalyl dichloride; dimethyl sulfoxide; triethylamine In dichloromethane at -60 - 20℃; Swern oxidation;	41%
Swern oxidation;
With Dess-Martin periodane In chloroform at 20℃; for 5h; Cooling with ice;

: 56539-66-3
solfit

: 1445-79-0
trimethyl gallium

: [(CH3)2Ga(μ-O-CH2CH2C(CH3)2-OCH3)]2

Conditions

Conditions	Yield
In pentane byproducts: CH4; Ar-atmosphere; dropwise addn. of ligand to GaMe3 at room temp., stirringovernight; distn. off of solvent, sublimation (74°C/0.1 mbar), then distn. (67°C/0.1 mbar) and crystn. on standing at -30°C for 1 h; elem. anal.;	89%

: 56539-66-3
solfit

: 18296-01-0
triethylsilyl formate

: 80920-24-7
3-methoxy-3-methyl-1-(triethylsiloxy)butane

Conditions

Conditions	Yield
With [Ru(κ1-OAc)(κ2-OAc)(κ3-1,1,1-tris(diphenylphosphinomethyl)ethane)] In acetonitrile at 70℃; for 1h; Inert atmosphere; Schlenk technique;	88%
With tris(2-diphenylphosphinoethyl)phosphine; iron(II) acetate In dichloromethane Glovebox; Inert atmosphere; Heating;	87%

: 56539-66-3
solfit

: 1-chloro-4-(trifluoromethyl)-2-vinylbenzene

: 1-chloro-2-(2-(3-methoxy-3-methylbutoxy)ethyl)-4-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With phosphazene base-P4-tert-butyl In hexane; m-xylene at 70℃; for 24h; Inert atmosphere;	82%

: 56539-66-3
solfit

: 776-04-5
2-trifluoromethylbenzenesulfonyl chloride

: 3-methoxy-3-methylbutyl 2-(trifluoromethyl)benzenesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 4h;	81%

: 56539-66-3
solfit

: 28469-92-3
2,6-dichlorostyrene

: 1,3-dichloro-2-(2-(3-methoxy-3-methylbutoxy)ethyl)benzene

Conditions

Conditions	Yield
With phosphazene base-P4-tert-butyl In hexane; m-xylene at 100℃; for 24h; Inert atmosphere;	81%

: 56539-66-3
solfit

: 79-03-8
propionyl chloride

: 1080673-42-2
3-methoxy-3-methylbutyl propanoate

Conditions

Conditions	Yield
In tetrahydrofuran for 2.25h; Inert atmosphere;	80.1%

: 56539-66-3
solfit

: 79-22-1
methyl chloroformate

: 1203544-43-7
3-methoxy-3-methylbutyl methoxyformate

Conditions

Conditions	Yield
With pyridine In tetrahydrofuran Inert atmosphere;	80%

: 56539-66-3
solfit

: 4-((6-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)aminomethyl)benzenesulfonamide

: 4-((1-ethyl-6-(3-methoxy-3-methylbutoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)aminomethyl)benzenesulfonamide

Conditions

Conditions	Yield
Stage #1: solfit With potassium tert-butylate at 20℃; for 0.333333h; Stage #2: 4-((6-chloro-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)aminomethyl)benzenesulfonamide at 70℃; for 10h;	76%

: 79-37-8
oxalyl dichloride

: 56539-66-3
solfit

: 1203544-56-2
bis(3-methoxy-3-methylbutylethane)-1,2-dioate

Conditions

Conditions	Yield
In dichloromethane at 0℃;	73.3%

: 56539-66-3
solfit

: 869370-01-4
3-methoxy-3-methylbutyl 4-methylbenzenesulfonate

: 1203544-39-1
1-methoxy-3-(3-methoxy-3-methylbutoxy)-1,1-dimethylpropane

Conditions

Conditions	Yield
Stage #1: solfit With sodium hydride In tetrahydrofuran at 40 - 70℃; Inert atmosphere; Stage #2: 3-methoxy-3-methylbutyl 4-methylbenzenesulfonate In tetrahydrofuran	71.7%

: 56539-66-3
solfit

: 627-03-2
3-oxapentanoic acid

: 1203544-47-1
3-methoxy-3-methylbutyl 2-ethoxyacetate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 40℃; for 5h;	71.2%

: 56539-66-3
solfit

: 68325-15-5
3-chloro-isonicotinonitrile

: 3-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile

Conditions

Conditions	Yield
Stage #1: solfit With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 1h; Inert atmosphere; Stage #2: 3-chloro-isonicotinonitrile In tetrahydrofuran; mineral oil at 20℃; Inert atmosphere;	67%
Stage #1: solfit With sodium hydride In tetrahydrofuran at 0 - 20℃; for 0.65h; Stage #2: 3-chloro-isonicotinonitrile In tetrahydrofuran at 20℃;	67%

: 7252-83-7
1-bromo-2,2-dimethoxyethane

: 56539-66-3
solfit

: 1203544-32-4
3-(2,2-dimethoxyethoxy)-1-methoxy-1,1-dimethylpropane

Conditions

Conditions	Yield
Stage #1: solfit With sodium hydride In tetrahydrofuran at 40 - 70℃; Inert atmosphere; Stage #2: 1-bromo-2,2-dimethoxyethane In tetrahydrofuran at 70℃; for 16.5h; Inert atmosphere;	65.5%

: 75-15-0
carbon disulfide

: 56539-66-3
solfit

: potassium 3-methoxy-3-methyl-1-butylxanthate

Conditions

Conditions	Yield
Stage #1: solfit With potassium hydroxide at 20℃; for 2h; Stage #2: carbon disulfide	62.8%

: 56539-66-3
solfit

: 625-45-6
2-methoxyacetic acid

: 1203544-46-0
3-methoxy-3-methylbutyl 2-methoxyacetate

Conditions

Conditions	Yield
Stage #1: 2-methoxyacetic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20 - 40℃; Stage #2: solfit With pyridine In dichloromethane; N,N-dimethyl-formamide at 0℃; Inert atmosphere;	61.1%

: 56539-66-3
solfit

: 563-47-3
3-Chloro-2-methylpropene

: 1093653-61-2
1-methoxy-1,1-dimethyl-3-(2-methylprop-2-enyloxy)propane

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide In water at 70℃; for 10h;	61%

: 56539-66-3
solfit

: 2-methyl-8-(6-(naphthalen-1-yl)pyridin-2-yl)-1,2,3,4-tetrahydroquinoline

: 13499-05-3
hafnium tetrachloride

: C27H26HfN2

Conditions

Conditions	Yield
In toluene at 20℃; for 4h; Glovebox; Cooling with ice;	57.1%

...Expand

: 64-18-6
formic acid

: 56539-66-3
solfit

: 1203544-40-4
3-methoxy-3-methylbutyl formate

Conditions

Conditions	Yield
at 20℃; for 6h;	56.3%

: 56539-66-3
solfit

: 107-02-8
acrolein

: 1203544-54-0
3-(3-methoxy-3-methylbutoxy)propanal

Conditions

Conditions	Yield
With hydrogenchloride In water at 40℃; for 72h; Subdued light;	55.9%

: 56539-66-3
solfit

: 832-53-1
pentafluorobenzenesulonyl chloride

: 3-methoxy-3-methylbutyl 2,3,4,5,6-pentafluorobenzenesulfonate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 2h;	51%

: 56539-66-3
solfit

: 660851-16-1
N-[5-chloro-2-(3-methoxy-3-methylbutoxy)phenyl]-N'-(5-cyano-2-pyrazinyl)urea

Conditions

Conditions	Yield
	46%

: 56539-66-3
solfit

: 1140917-51-6
N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-fluoro-5-(trifluoromethyl)benzamide

: 1140917-56-1
N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-(3-methoxy-3-methylbutoxy)-5-(trifluoromethyl)benzamide

Conditions

Conditions	Yield
Stage #1: solfit With potassium tert-butylate In tetrahydrofuran for 0.166667h; Stage #2: N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-fluoro-5-(trifluoromethyl)benzamide In tetrahydrofuran for 3h;	41%
Stage #1: solfit With potassium tert-butylate In tetrahydrofuran for 0.166667h; Stage #2: N-{(3E)-5-tert-butyl-1-methyl-2-[(2R)-tetrahydrofuran-2-ylmethyl]-1,2-dihydro-3H-pyrazol-3-ylidene}-2-fluoro-5-(trifluoromethyl)benzamide In tetrahydrofuran for 3h;	41%

3-Methyl-3-methoxybutanol Specification

The 3-Methyl-3-methoxybutanol is an organic compound with the formula C₆H₁₄O₂. The IUPAC name of this chemical is 3-methoxy-3-methylbutan-1-ol. With the CAS registry number 56539-66-3, it is also named as 1-butanol, 3-methoxy-3-methyl-. The product's categories are Alcohols; C2 to C6; Oxygen Compounds. Besides, it is a clear colourless liquid, which should be stored in a cool and dry place.

Physical properties about 3-Methyl-3-methoxybutanol are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): 0.33; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1.04; (5)ACD/BCF (pH 7.4): 1.04; (6)ACD/KOC (pH 5.5): 35.85; (7)ACD/KOC (pH 7.4): 35.85; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46Å²; (12)Index of Refraction: 1.417; (13)Molar Refractivity: 33.09 cm³; (14)Molar Volume: 131.4 cm³; (15)Polarizability: 13.11×10^-24cm³; (16)Surface Tension: 27.9 dyne/cm; (17)Density: 0.898 g/cm³; (18)Flash Point: 51.6 °C; (19)Enthalpy of Vaporization: 46.66 kJ/mol; (20)Boiling Point: 164.2 °C at 760 mmHg; (21)Vapour Pressure: 0.675 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4-dimethyl-[1,3]dioxane. This reaction will need reagent diisobutylaluminum hydride and solvent benzene. The reaction time is 2 hours by heating. The yield is about 90%.

Uses of 3-Methyl-3-methoxybutanol: it can be used to produce 3-methoxy-3-methylbutanal. This reaction is a kind of Swern oxidation. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes. When you are using it, do not breathe gas/fumes/vapour/spray, and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(OC)(C)C
(2)InChI: InChI=1/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3
(3)InChIKey: MFKRHJVUCZRDTF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H14O2/c1-6(2,8-3)4-5-7/h7H,4-5H2,1-3H3 CopyCopied
(5)Std. InChIKey: MFKRHJVUCZRDTF-UHFFFAOYSA-N

Product Name

3-Methyl-3-methoxybutanol

Synthetic route

3-Methyl-3-methoxybutanol Specification

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