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(3R)-3-Amino-1-butanol

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Name

(3R)-3-Amino-1-butanol

EINECS 640-387-9
CAS No. 61477-40-5 Density 0.927 g/cm3
PSA 46.25000 LogP 0.41630
Solubility N/A Melting Point N/A
Formula C4H11NO Boiling Point 168.349 °C at 760 mmHg
Molecular Weight 89.1374 Flash Point 55.616 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 61477-40-5 ((R)-3-AMINO-1-BUTANOL) Hazard Symbols N/A
Synonyms

1-Butanol,3-amino-, (R)-;(3R)-3-Amino-1-butanol;

Article Data 40

(3R)-3-Amino-1-butanol Synthetic route

(R)-3-acetamidobutanol

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
In ethanol at 70 - 80℃; Alkaline conditions;97.5%
866395-21-3

(-)-(3R)-3-((benzyloxycarbonyl)amino)butanol

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In ethanol at 50 - 60℃; under 3000.3 - 4500.45 Torr;96%
167216-17-3

(-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With trifluoroacetic acid In dichloromethane at 0 - 10℃;95.8%
With hydrogenchloride In methanol; water at 25℃; for 6h; Green chemistry;90%
With hydrogenchloride In methanol at 25℃;0.5 g

(3R)-3-{[(1R)-1-phenylethyl]amino}butan-1-ol

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With platinum on carbon In ethanol at 60℃; under 15001.5 Torr; for 10h; Reagent/catalyst;95.4%

(R)-3-amino-1-butanol L-malate

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With sodium methylate In methanol at 20℃; Solvent; Reagent/catalyst;95.3%
With sodium hydroxide In isopropyl alcohol at 10 - 20℃; for 0.666667h;12.9 g

(R)-3-amino-1-butanol tartarate

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 40 - 45℃; Reagent/catalyst; Temperature;95%

(R)-3-benzamido-1-butanol

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
In ethanol at 70 - 80℃; Alkaline conditions;92.6%
With hydrogenchloride In water for 3h; Reflux;90%
1236049-43-6

(R)-4-hydroxybutan-2-aminium (S)-2-hydroxy-2-phenylacetate

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With triethanolamine; sodium methylate In methanol at 80 - 100℃; under 3.75038 - 562.556 Torr;91%
With sodium methylate In methanol at 20℃; for 2h;35 g
With sodium methylate In methanol at 65℃; for 17h;

(R)-3-aminobutanol tartrate

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With potassium carbonate In methanol at 45 - 50℃; for 12h;90%
3775-73-3

(R)-3-aminobutanoic acid

61477-40-5

(R)-3-amino-1-butanol

Conditions
ConditionsYield
With sodium tetrahydroborate; trifluoroacetic acid In tetrahydrofuran at 20℃; Reagent/catalyst; Temperature; Solvent; Inert atmosphere; Cooling with ice;84.3%
With sodium tetrahydroborate; zinc(II) chloride In tetrahydrofuran at 20 - 60℃; for 3.5h; Autoclave;54%

(3R)-3-Amino-1-butanol Specification

This chemical is called 1-Butanol, 3-amino-, (3R)-, and it can also be named as (R)-3-aminobutanol. With the molecular formula of C4H11NO, its molecular weight is 89.14. The CAS registry number of this chemical is 61477-40-5.

Other characteristics of the 1-Butanol, 3-amino-, (3R)- can be summarised as followings: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 25.609 cm3; (15)Molar Volume: 96.123 cm3; (16)Polarizability: 10.152×10-24cm3; (17)Surface Tension: 35.387 dyne/cm; (18)Density: 0.927 g/cm3; (19)Flash Point: 55.616 °C; (20)Enthalpy of Vaporization: 47.133 kJ/mol; (21)Boiling Point: 168.349 °C at 760 mmHg; (22)Vapour Pressure: 0.531 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: OCC[C@H](N)C
2.InChI: InChI=1/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3/t4-/m1/s1
3.InChIKey: AGMZSYQMSHMXLT-SCSAIBSYBU

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