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

Name
(R)-3-AMINO-1-BUTANOL
EINECS 640-387-9
CAS No. 61477-40-5
Article Data40
CAS DataBase
Density 0.927 g/cm³
Solubility
Melting Point
Formula C₄H₁₁NO
Boiling Point 168.349 °C at 760 mmHg
Molecular Weight 89.1374
Flash Point 55.616 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Butanol,3-amino-, (R)-;(3R)-3-Amino-1-butanol;
PSA 46.25000
LogP 0.41630

Synthetic route

: (R)-3-acetamidobutanol

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: (R)-3-benzamido-1-butanol

A: 61477-40-5
(R)-3-amino-1-butanol

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With hydrogenchloride for 5h; Heating;	A 83% B 37.2 g

: 245728-81-8
1-(tert-butyldimethylsilyloxy)-3-aminobutane

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 1h;	80%

: (R)-3-amino-butyric acid ethyl ester hydrochloride

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
Stage #1: (R)-3-amino-butyric acid ethyl ester hydrochloride With sodium hydrogencarbonate In water at 20℃; for 0.25h; Cooling with ice; Stage #2: With potassium borohydride In ethanol at 20℃; for 12h;	77%

: 139243-54-2
(R)-3-aminobutanoic acid methyl ester hydrochloride

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
Stage #1: (R)-3-aminobutanoic acid methyl ester hydrochloride With sodium hydrogencarbonate In water for 0.25h; Cooling with ice; Stage #2: With potassium borohydride In methanol at 20℃; for 12h;	76%

: 6078-06-4, 83509-89-1, 102522-53-2, 103189-63-5
(R)-methyl 3-aminobutanoate hydrochloride

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With RuH(η1-BH4)(dppp)((R,R)-dpen); hydrogen In tetrahydrofuran at 80℃; under 37503.8 Torr; for 16h; Autoclave;	62%
With hydrogen; C40H39BN2P2Ru In tetrahydrofuran at 80℃; under 26252.6 - 37503.8 Torr; for 14h; Product distribution / selectivity;	n/a

: 60920-20-9
(3R)-3-methyl-3-[((1S)-1-phenylethyl)amino]propan-1-ol

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol

: 5303-65-1
3-aminobutanoic acid ethyl ester

A: 61477-39-2
(+)-(S)-3-aminopropan-1-ol

B: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride Yield given. Yields of byproduct given. Title compound not separated from byproducts;

: 116173-78-5, 116173-72-9
methyl 3-((methoxycarbonyl)amino)-3-methylpropanoate

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; hydrogen bromide 1.) AcOH; 2.) THF; Multistep reaction;

: 866395-51-9
2-hydroxymethyl-N-(3-hydroxy-1-methyl-propyl)-benzamide

A: 87-41-2
2-benzofuran-1(3H)-one

B: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With acetic acid at 80℃;

: 899806-42-9
(3R)-3-{benzyl[(1R)-1-phenylethyl]amino}butanol

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With hydrogen; palladium hydroxide on carbon In methanol under 1551.49 Torr; for 24h;

: 120686-16-0
tert-butyl (R)-3-amino-3-methyl-propionate

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With potassium hydroxide; aluminium trichloride In diethyl ether; water

: C8H13NO3

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol; water at 20 - 85℃; for 2h;

: 590-90-9
1-Hydroxy-3-butanone

: 61477-40-5
(R)-3-amino-1-butanol

Conditions

Conditions	Yield
With SEC-BUTYLAMINE; magnesium chloride In aq. phosphate buffer; dimethyl sulfoxide at 15℃; for 24h; Reagent/catalyst; Solvent; Temperature; Enzymatic reaction;	0.45 g
With glucose dehydrogenase; ammonium hydroxide; D-glucose; NAD; ammonium chloride; lysozyme; DNase I In water at 30℃; for 24h; Reagent/catalyst; Enzymatic reaction; enantioselective reaction;	n/a

: 61477-40-5
(R)-3-amino-1-butanol

: 1206102-08-0
methyl 1-(2,2-dihydroxyethyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylate

: 1206102-09-1
(4R,12aS)-7-(benzyloxy)-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2’:4,5] pyrazino[2,1-b][1,3]oxazine-6,8-dione

Conditions

Conditions	Yield
With acetic acid In toluene at 90℃; for 3.5h;	96%
With acetic acid In toluene at 90℃; for 2.5h; Product distribution / selectivity;	83%
With acetic acid In methanol; toluene at 90℃; for 2.5h; Reagent/catalyst; Temperature;	83%
With acetic acid In toluene at 90℃; for 2h; diastereoselective reaction;	80%

: 24424-99-5
di-tert-butyl dicarbonate

: 61477-40-5
(R)-3-amino-1-butanol

: 167216-17-3
(-)-tert-butyl [(R)-3-hydroxy-1-methylpropyl]carbamate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 25℃; for 16h;	91.3%
With triethylamine In dichloromethane at 20 - 24℃; for 4h;	80%
With triethylamine In dichloromethane at 20℃; for 4h;
With triethylamine In dichloromethane at 0 - 20℃; for 1h;

: 61477-40-5
(R)-3-amino-1-butanol

: 100-52-7
benzaldehyde

: (R)-3-(benzylamino)butan-1-ol

Conditions

Conditions	Yield
Stage #1: (R)-3-amino-1-butanol; benzaldehyde In methanol at 20℃; for 1h; Stage #2: With methanol; sodium tetrahydroborate at 0 - 20℃; for 2.33333h;	90%

: 61477-40-5
(R)-3-amino-1-butanol

: methyl 5-(2,4-difluorobenzylcarbamoyl)-3-methoxy-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate

A: 1335210-35-9
(4R,12aS)-N-(2,4-difluorobenzyl)-7-methyloxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido [1',2',:4,5]pyrazino[2,1-b] [1,3]oxazine-9-carboxamide

B: N-(2,4-difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

C: (R)-N-(2,4-difluorobenzyl)-2-(4-hydroxybutan-2-yl)-9-methoxy-1,8-dioxo-1,8-dihydro-2H-pyrido[1,2-a]pyrazine-7-carboxamide

Conditions

Conditions	Yield
In toluene; acetonitrile at 100℃; under 5171.62 Torr; Flow reactor;	A n/a B n/a C 88%

...Expand

: 61477-40-5
(R)-3-amino-1-butanol

: 1246617-67-3
C18H17NO7

: 1357289-10-1
C21H22N2O6

Conditions

Conditions	Yield
With acetic acid In methanol; toluene at 90℃; for 3h;	81%

: 1229006-25-0
methyl 3-(benzyloxy)-5-(2,4-difluorobenzylcarbamoyl)-4-oxo-1-(2-oxoethyl)-1,4-dihydropyridine-2-carboxylate

: 61477-40-5
(R)-3-amino-1-butanol

: 1206102-11-5
(4R,12aS)-7-(benzyloxy)-N-(2,4-difluorobenzyl)-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1′,2’:4,5]-pyrazino[2,1-b][1,3]oxazine-9-carboxamide

Conditions

Conditions	Yield
With acetic acid In dichloromethane at 140℃; Microwave irradiation;	81%
With acetic acid In methanol; toluene at 90℃; for 2h;	65%
With acetic acid In methanol; toluene at 120℃; for 4h;	0.2 g

: 61477-40-5
(R)-3-amino-1-butanol

: C22H26F2N2O7

: C22H23F2N3O5

Conditions

Conditions	Yield
Stage #1: C22H26F2N2O7 With methanesulfonic acid; acetic acid In acetonitrile at 25 - 70℃; for 9h; Stage #2: (R)-3-amino-1-butanol In acetonitrile at 65 - 70℃; for 5h;	81%

: 624-31-7
4-tolyl iodide

: 61477-40-5
(R)-3-amino-1-butanol

: (R)-N-(4-hydroxybutan-2-yl)-p-toluidine

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; L-proline In dimethyl sulfoxide at 120℃; for 12h; Inert atmosphere;	79%

: 61477-40-5
(R)-3-amino-1-butanol

: 1246616-87-4
C20H21NO7

: 1357289-04-3
(4R,12aS)-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With acetic acid In methanol; toluene for 3h; Reflux;	78%

: 61477-40-5
(R)-3-amino-1-butanol

: C20H17N5O3S

: C24H26N6O3S

Conditions

Conditions	Yield
Stage #1: (R)-3-amino-1-butanol; C20H17N5O3S In tetrahydrofuran for 0.166667h; Inert atmosphere; Stage #2: With N-ethyl-N,N-diisopropylamine; HATU In tetrahydrofuran for 2h; Reflux;	76%

: 61477-40-5
(R)-3-amino-1-butanol

: C19H20F2N2O7

: C23H29F2N3O7

Conditions

Conditions	Yield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 2h;	76%

: 61477-40-5
(R)-3-amino-1-butanol

: tetraethyl 7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3,5,6-tetracarboxylate

: C26H42N2O10

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; Schlenk technique;	74%

: 61477-40-5
(R)-3-amino-1-butanol

: C4H9N3O

Conditions

Conditions	Yield
Stage #1: (R)-3-amino-1-butanol With copper(II) sulfate; triethylamine In water; acetonitrile at 0℃; for 0.0833333h; Inert atmosphere; Stage #2: With imidazole-1-sulfonyl azide hydrochloride In water; acetonitrile at 0 - 20℃; for 2.16667h; Inert atmosphere;	74%

: 61477-40-5
(R)-3-amino-1-butanol

: C20H20F2N2O6

: C22H23F2N3O5

Conditions

Conditions	Yield
With acetic acid In toluene at 80 - 90℃; for 24h;	71%
With acetic acid In methanol; toluene at 25 - 90℃; for 24h;	61%

(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

Product Name

(R)-3-AMINO-1-BUTANOL

Synthetic route

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

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