CAS No.616-16-0,(R)-2-Methylbutanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	616-16-0
Name:	(R)-2-Methylbutanol
Article Data:	70

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

Synthetic route

: 32231-50-8
(R)-2-methylbutyric acid

: 616-16-0
(R)-2-Methyl-1-butanol

Conditions

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-(tetrahydro-2-pyranyloxy)-butan-1-ol

: 616-16-0
(R)-2-Methyl-1-butanol

Conditions

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

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

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

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

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

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

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

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

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