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| CAS No.: | 616-16-0 |
|---|---|
| Name: | (R)-2-Methylbutanol |
| Article Data: | 70 |
| Molecular Structure: | |
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| 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 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 32231-50-8
(R)-2-methylbutyric acid
- 616-16-0
(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% |
- 616-16-0
(R)-2-Methyl-1-butanol
| Conditions | Yield |
|---|---|
| With Amberlyst(R) In methanol at 45℃; for 0.666667h; | 100% |
- 130856-00-7
(R)-2-methyl-1-(2-tetrahydropyranyloxy)butane
- 616-16-0
(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; |
- 1174752-30-7
1-methoxy-4-((R)-(-)-2-methylbutoxymethyl)benzene
- 616-16-0
(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% |
- 474828-48-3
(R)-4-benzyl-3-((R)-2-methylbutanoyl) oxazolidin-2-one
- 616-16-0
(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 |
- 33204-48-7
(R)-2-methylbutanal
- 616-16-0
(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; |
- 13602-09-0, 115166-86-4, 115166-89-7
Acetaldehyde O-ethyl O'-(R)-2-methylpropyl acetal
- 616-16-0
(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; |
- 474828-48-3
(R)-4-benzyl-3-((R)-2-methylbutanoyl) oxazolidin-2-one
A
- 616-16-0
(R)-2-Methyl-1-butanol
B
- 40217-17-2, 90719-32-7, 120574-96-1, 102029-44-7
(R)-4-(phenylmethyl)-2-oxazolidinone
| Conditions | Yield |
|---|---|
| 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% |
- 1068600-85-0
(2R)-N-[(1S,2S)-2-hydroxy-1-methyl-2-phenylethyl]-N-methyl-2-methylbutanamide
- 616-16-0
(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℃; |
- 69743-62-0
(R)-2-methylbutyl benzoate
- 616-16-0
(R)-2-Methyl-1-butanol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water for 2h; Heating; | 84% |
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Specification
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