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CAS No.: | 616-16-0 |
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Name: | (R)-2-Methylbutanol |
Article Data: | 70 |
Molecular Structure: | |
Formula: | C5H12O |
Molecular Weight: | 88.1497 |
Synonyms: | 1-Butanol,2-methyl-, (R)-;1-Butanol, 2-methyl-, (R)-(+)- (8CI);1-Butanol, 2-methyl-, d-(4CI);(+)-2-Methyl-1-butanol;(+)-2-Methylbutanol;(R)-(+)-2-Methyl-1-butanol;(R)-2-Methyl-1-butanol; |
Density: | 0.809 |
Boiling Point: | 129 ºC |
Flash Point: | 43 ºC |
PSA: | 20.23000 |
LogP: | 1.02480 |
(R)-2-methylbutyric acid
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
Stage #1: (R)-2-methylbutyric acid With lithium aluminium tetrahydride In diethyl ether at 0 - 5℃; for 1h; Stage #2: With hydrogenchloride; water In diethyl ether Cooling with ice; | 100% |
Stage #1: (R)-2-methylbutyric acid With lithium aluminium tetrahydride In diethyl ether at 0 - 5℃; for 1h; Stage #2: With water In diethyl ether | 100% |
With lithium aluminium tetrahydride In diethyl ether at 0 - 20℃; for 1h; | 93% |
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With Amberlyst(R) In methanol at 45℃; for 0.666667h; | 100% |
(R)-2-methyl-1-(2-tetrahydropyranyloxy)butane
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In ethanol for 12h; Ambient temperature; | 95% |
With toluene-4-sulfonic acid In methanol for 3h; Decomposition; Heating; | 57% |
With toluene-4-sulfonic acid In methanol for 4h; Heating; |
1-methoxy-4-((R)-(-)-2-methylbutoxymethyl)benzene
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With palladium on activated charcoal; hydrogen In dichloromethane under 760.051 Torr; | 93% |
With palladium on carbon; hydrogen In dichloromethane at 20℃; | 64% |
(R)-4-benzyl-3-((R)-2-methylbutanoyl) oxazolidin-2-one
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With lithium borohydride In methanol; diethyl ether at -30℃; Inert atmosphere; Cooling with ice; | 92% |
With lithium borohydride In methanol; diethyl ether at -30 - 0℃; for 12.5h; Inert atmosphere; | 92% |
With methanol; lithium borohydride In tetrahydrofuran at 0 - 20℃; for 3h; | |
With lithium aluminium tetrahydride In diethyl ether at -20 - 0℃; for 2h; | |
Multi-step reaction with 2 steps 1: lithium hydroxide; dihydrogen peroxide / water / 16 h / 0 - 20 °C 2: lithium aluminium tetrahydride / diethyl ether / 1 h / 0 - 20 °C View Scheme |
(R)-2-methylbutanal
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With dimethylsulfide borane complex 1.) 0 deg C, 0.5 h, 2.) 25 deg C, 0.5 h; | 90% |
With sodium tetrahydroborate In tetrahydrofuran; water for 4h; Ambient temperature; |
Acetaldehyde O-ethyl O'-(R)-2-methylpropyl acetal
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With pyridinium p-toluenesulfonate In tetrahydrofuran; water for 2h; Heating; | 88% |
With pyridinium p-toluenesulfonate In tetrahydrofuran; water Heating; Yield given; |
(R)-4-benzyl-3-((R)-2-methylbutanoyl) oxazolidin-2-one
A
(R)-2-Methyl-1-butanol
B
(R)-4-(phenylmethyl)-2-oxazolidinone
Conditions | Yield |
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With lithium borohydride In methanol; diethyl ether at -20 - 0℃; for 2h; Inert atmosphere; | A 86% B 72% |
Stage #1: (R)-4-benzyl-3-((R)-2-methylbutanoyl) oxazolidin-2-one With lithium borohydride In methanol; diethyl ether at -20 - 0℃; for 2h; Inert atmosphere; Stage #2: With sodium hydroxide In methanol; diethyl ether for 0.5h; Inert atmosphere; | A 86% B 72% |
(2R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methyl-2-methylbutanamide
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 23℃; for 2h; | 85% |
With n-butyllithium; ammonia borane; diisopropylamine In tetrahydrofuran; hexane at -78 - 25℃; for 2h; | 76% |
With lithium amidotrihydridoborate In tetrahydrofuran; hexane at 20℃; |
(R)-2-methylbutyl benzoate
(R)-2-Methyl-1-butanol
Conditions | Yield |
---|---|
With sodium hydroxide In methanol; water for 2h; Heating; | 84% |
The (R)-2-Methylbutanol, with the cas registry number of 616-16-0, has the systematic name of (2R)-2-methylbutan-1-ol. And the molecular formula of the chemical is C5H12O.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/LogP: 1.22; (8)# of Rule of 5 Violations: 0; (9)ACD/LogD (pH 5.5): 1.22; (10)ACD/LogD (pH 7.4): 1.22; (11)ACD/BCF (pH 5.5): 5; (12)ACD/BCF (pH 7.4): 5; (13)ACD/KOC (pH 5.5): 110.18; (14)ACD/KOC (pH 7.4): 110.18; (15)#H bond acceptors: 1; (16)#H bond donors: 1; (17)#Freely Rotating Bonds: 3; (18)Polar Surface Area: 9.23 Å2; (19)Index of Refraction: 1.405; (20)Molar Refractivity: 26.7 cm3; (21)Molar Volume: 108.9 cm3; (22)Polarizability: 10.58×10-24cm3; (23)Surface Tension: 25.6 dyne/cm; (24)Density: 0.809 g/cm3; (25)Flash Point: 43.3 °C; (26)Enthalpy of Vaporization: 42.7 kJ/mol; (27)Boiling Point: 128.7 °C at 760 mmHg; (28)Vapour Pressure: 4.76 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC[C@H](C)CC
(2)InChI: InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
(3)InChIKey: QPRQEDXDYOZYLA-RXMQYKEDBU