(S)-tert-Leucinol supplier | CasNO.112245-13-3

Name
(S)-TERT-LEUCINOL
EINECS
CAS No. 112245-13-3
Article Data58
CAS DataBase
Density 0.907 g/cm³
Solubility
Melting Point 30-34 °C(lit.)
Formula C₆H₁₅NO
Boiling Point 198.5 °C at 760 mmHg
Molecular Weight 117.191
Flash Point 73.8 °C
Transport Information
Appearance white crystalline low melting mass
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Butanol,2-amino-3,3-dimethyl-, (S)-;(2S)-2-Amino-3,3-dimethyl-1-butanol;(S)-(+)-2-Amino-3,3-dimethylbutanol;(S)-(+)-tert-Leucinol;(S)-2-Amino-3,3-dimethyl-1-butanol;(S)-2-Amino-3,3-dimethylbutanol;L-tert-Leucinol;
PSA 46.25000
LogP 1.05240

Synthetic route

: 20859-02-3
L-tert-Leucine

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With sodium tetrahydroborate; iodine In tetrahydrofuran for 24h; Heating;	100%
Stage #1: L-tert-Leucine With iodine In tetrahydrofuran for 24h; Reflux; Stage #2: With methanol Stage #3: With potassium hydroxide In water	100%
With sodium tetrahydroborate; iodine In tetrahydrofuran at 0 - 80℃; for 22h; Inert atmosphere;	100%

: 297746-06-6
[2-[(4S)-4-(tert-butyl-1,3-oxazolin-2-yl)]phenyl]diphenylphosphino-1-one

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With hydrogenchloride for 6h; Hydrolysis; Heating;	85%

: 157985-17-6
(-)-(3R,5S)-5-(1,1-dimethylethyl)-3-phenylmorpholin-2-one

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 112509 Torr; for 72h;	82%
With hydrogen; palladium on activated charcoal In methanol under 114000 Torr; for 72h; Hydrogenolysis; ring cleavage; methanolysis;	82%

: 63038-27-7
L-tert-leucine methyl ester hydrochloride

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol; water for 5.5h; Heating;

: 43165-46-4
sodium 3,3-dimethyl-2-oxobutyrate

A: 112245-13-3
(S)-tert-leucinol

B: 3907-02-6, 93684-72-1, 112245-13-3, 112245-09-7
(2R)-2-amino-3,3-dimethylbutan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate; sulfuric acid In 1,2-dimethoxyethane for 48h; Ambient temperature; resolution with (S)-mandelic acid; Yield given. Yields of byproduct given;
With sodium tetrahydroborate; sulfuric acid In 1,2-dimethoxyethane for 48h; Ambient temperature; resolution with N-(2-naphthoyl)-(S)-tert-leucine; Yield given. Yields of byproduct given;

: 207398-94-5
(S)-3,3-Dimethyl-2-((S)-1-phenyl-ethylamino)-butan-1-ol

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With hydrogen S, Ram, L. D. Spicer Synth. Commun. 1987, 17, 415.;

: 5469-26-1
1-Bromopinacolon

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 90 percent / dimethylformamide / 15 h / 20 °C 2: hydrobromic acid; acetic acid 3: potassium carbonate 4: hydrogen / platinum oxide hydrate / methanol / 20 °C / 760 Torr 5: 82 percent / hydrogen / Pd/C / methanol / 72 h / 114000 Torr View Scheme

: 157985-06-3
5-(1,1-dimethylethyl)-3R-phenyl-3,6-dihydro-[1,4]oxazin-2-one

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogen / platinum oxide hydrate / methanol / 20 °C / 760 Torr 2: 82 percent / hydrogen / Pd/C / methanol / 72 h / 114000 Torr View Scheme
Multi-step reaction with 2 steps 1: 89 percent / H2 / PtO2 / methanol / 5 h / 760 Torr 2: 82 percent / H2 / 10percent Pd/C / methanol / 72 h / 112509 Torr View Scheme

: 261963-27-3
(-)-(R)-(phenyl)(phenylmethoxycarbonylamino)acetic acid 3,3-dimethyl-2-oxo-butyl ester

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: hydrobromic acid; acetic acid 2: potassium carbonate 3: hydrogen / platinum oxide hydrate / methanol / 20 °C / 760 Torr 4: 82 percent / hydrogen / Pd/C / methanol / 72 h / 114000 Torr View Scheme
Multi-step reaction with 3 steps 1: aq. HBr / acetic acid 2: 89 percent / H2 / PtO2 / methanol / 5 h / 760 Torr 3: 82 percent / H2 / 10percent Pd/C / methanol / 72 h / 112509 Torr View Scheme

: (R)-Amino-phenyl-acetic acid 3,3-dimethyl-2-oxo-butyl ester; hydrobromide

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: potassium carbonate 2: hydrogen / platinum oxide hydrate / methanol / 20 °C / 760 Torr 3: 82 percent / hydrogen / Pd/C / methanol / 72 h / 114000 Torr View Scheme

: 630-19-3
pivalaldehyde

H2N-Val-Phe-PAL-TM support: H2N-Val-Phe-PAL-TM support

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 4 Angstroem mol. sieves / CH2Cl2 2: TiCl4 / 15 °C / Irradiation 3: H2 / S, Ram, L. D. Spicer Synth. Commun. 1987, 17, 415. View Scheme

: 207398-91-2
[2,2-Dimethyl-prop-(E)-ylidene]-((S)-1-phenyl-ethyl)-amine

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: TiCl4 / 15 °C / Irradiation 2: H2 / S, Ram, L. D. Spicer Synth. Commun. 1987, 17, 415. View Scheme

: 38895-88-4
1-hydroxy-3,3-dimethylbutan-2-one

: 112245-13-3
(S)-tert-leucinol

Conditions

Conditions	Yield
With ammonium hydroxide; formate dehydrogenase; amine dehydrogenase-M0; H3NCH2O2H(1+); nicotinamide adenine dinucleotide In dimethyl sulfoxide at 30℃; for 24h; pH=8.9; Reagent/catalyst; enantioselective reaction;

: 358-23-6
trifluoromethylsulfonic anhydride

: 112245-13-3
(S)-tert-leucinol

: 200351-78-6
(S)-2-tert-Butyl-1-trifluoromethanesulfonyl-aziridine

Conditions

Conditions	Yield
With triethylamine In dichloromethane at -78 - -30℃;	100%
With triethylamine In dichloromethane at -78 - -50℃; for 15h;

: 37942-07-7
3,5-di-tert-butyl-2-hydroxybenzaldehyde

: 112245-13-3
(S)-tert-leucinol

: 2,4-di-tert-butyl-6-[(E)-{[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]imino}methyl]phenol

Conditions

Conditions	Yield
In ethanol for 3h; Heating;	100%
With magnesium sulfate In methanol for 16h;	93%
In ethanol Heating;

: 2631-77-8
3,5-diodosalicylaldehyde

: 112245-13-3
(S)-tert-leucinol

: (S,E)-2-(((1-hydroxy-3,3-dimethylbutan-2-yl)imino)methyl)-4,6-diiodophenol

Conditions

Conditions	Yield
With sodium sulfate In methanol for 12h; Heating;	100%
In ethanol for 16h;	75%
In dichloromethane at 20℃; for 16h;

: 89-95-2
2-methyl-benzyl alcohol

: 112245-13-3
(S)-tert-leucinol

: 946411-09-2
(S)-2-(N-salicylidene)amino-3,3-dimethyl-1-butanol

Conditions

Conditions	Yield
With sodium sulfate In methanol for 12h; Heating;	100%
In ethanol at 20℃;

: 3-tert-butyl-4-hydroxy-5-oxomethylphenyl vinyl carbonate

: 112245-13-3
(S)-tert-leucinol

: (S)-3-tert-butyl-4-hydroxy-5-[(1-tert-butyl-2-hydroxy-ethylimino)-methyl]-phenyl vinyl carbonate

Conditions

Conditions	Yield
In ethanol at 20℃; for 6h;	100%

: 3-tert-butyl-4-hydroxy-5-oxomethylphenyl methacrylate

: 112245-13-3
(S)-tert-leucinol

: (S)-3-tert-butyl-4-hydroxy-5-[(1-tert-butyl-2-hydroxy-ethylimino)-methyl]-phenyl methacrylate

Conditions

Conditions	Yield
In ethanol at 20℃; for 6h;	100%

: 112245-13-3
(S)-tert-leucinol

: 609-08-5
Diethyl methylmalonate

: 909713-82-2
N1,N3-bis[(S)-1-hydroxy-3,3-dimethylbutan-2-yl]malonamide

Conditions

Conditions	Yield
at 110℃; for 72h;	100%
In toluene at 120℃;	82%
at 120℃; for 72h; Schlenk technique; Inert atmosphere;
at 120℃; for 72h; Schlenk technique; Inert atmosphere;

: 112245-13-3
(S)-tert-leucinol

: 501-53-1
benzyl chloroformate

: 848777-16-2
((S)-1-Hydroxymethyl-2,2-dimethyl-propyl)-carbamic acid benzyl ester

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃;	100%
With sodium hydrogencarbonate In methanol; water for 16h;	52%
With sodium hydrogencarbonate In water; ethyl acetate at 0℃; for 2h;

: 3132-99-8
m-bromobenzoic aldehyde

: 112245-13-3
(S)-tert-leucinol

: C13H18BrNO

Conditions

Conditions	Yield
In methanol at 20℃; for 1h;	100%

: 112245-13-3
(S)-tert-leucinol

: 555-16-8
4-nitrobenzaldehdye

: C13H18N2O3

Conditions

Conditions	Yield
In methanol at 20℃; for 1h;	100%

: 112245-13-3
(S)-tert-leucinol

: 123-11-5
4-methoxy-benzaldehyde

: C14H21NO2

Conditions

Conditions	Yield
In methanol at 20℃; for 1h;	100%

: 103-25-3
3-phenylpropanoic acid methyl ester

: 112245-13-3
(S)-tert-leucinol

: 475571-08-5
(S)-2-phenethyl-4-tert-butyloxazoline

Conditions

Conditions	Yield
Zn4(OCOCF3)6O In chlorobenzene for 18h; Product distribution / selectivity; Heating / reflux;	100%
With Zn4(OCOCF3)6O In chlorobenzene for 18h; Heating;	99%

: 112245-13-3
(S)-tert-leucinol

: 501-52-0
3-Phenylpropionic acid

: 475571-08-5
(S)-2-phenethyl-4-tert-butyloxazoline

Conditions

Conditions	Yield
Zn4(OCOCF3)6O In chlorobenzene for 12h; Product distribution / selectivity; Heating / reflux;	100%
With Zn4(OCOCF3)6O In chlorobenzene for 12h; Heating;	99%

: 5371-70-0
dimethyl 4-chloro-2,6-pyridinedicarboxylate

: 112245-13-3
(S)-tert-leucinol

: 1009339-34-7
4-chloro-N,N'-bis[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]pyridine-2,6-dicarboxamide

Conditions

Conditions	Yield
at 120℃; for 2h; Inert atmosphere;	100%
at 120℃; for 3.5h;

: 1195988-94-3
1,3-dihydro-1-iminoisobenzofuran hydrochloride

: 112245-13-3
(S)-tert-leucinol

: 1196988-63-2
(S)-2-(2'-hydroxymethylphenyl)-4-tertbutyloxazoline

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 48h; Inert atmosphere;	100%

: 1268882-99-0
(1aS,5aS)-2-(pyrazin-2-yl)-1a,2,5,5a-tetrahydro-1H-2,3-diazacyclopropa[a]pentalene-4-carboxylic acid

: 112245-13-3
(S)-tert-leucinol

: 1268881-17-9
(4aS,5aS)-N-((S)-1-hydroxy-3,3-dimethylbutan-2-yl)-1-(pyrazin-2-yl)-4,4a,5,5a-tetrahydro-1H-cyclopropa[4,5]cyclopenta[1,2-c]pyrazole-3-carboxamide

Conditions

Conditions	Yield
Stage #1: (1aS,5aS)-2-(pyrazin-2-yl)-1a,2,5,5a-tetrahydro-1H-2,3-diazacyclopropa[a]pentalene-4-carboxylic acid With triethylamine; HATU In N,N-dimethyl-formamide at 23℃; for 0.0833333h; Stage #2: (S)-tert-leucinol In N,N-dimethyl-formamide at 23℃; for 0.25h;	100%

: 112245-13-3
(S)-tert-leucinol

: 76-05-1
trifluoroacetic acid

: (S)-1-hydroxy-3,3-dimethylbutan-2-aminium trifluoroacetate

Conditions

Conditions	Yield
In dichloromethane at 0℃; for 0.0833333h; Inert atmosphere;	100%

: 1207620-43-6
C14H19NO3

: 112245-13-3
(S)-tert-leucinol

: C18H28N2O3

Conditions

Conditions	Yield
In dichloromethane for 16h; Reflux;	100%

: 24623-65-2
3-tert-butyl-2-hydroxybenzaldehyde

: 112245-13-3
(S)-tert-leucinol

: (S)-2-[N-(3'-tert-butylsalicylidene)amino]-3,3-dimethyl-1-butanol

Conditions

Conditions	Yield
	99%
With sodium sulfate In methanol for 18h; Heating;	70%
With sodium sulfate In methanol Heating;	70%

: 112245-13-3
(S)-tert-leucinol

: 393-52-2
2-Fluorobenzoyl chloride

: 179116-92-8
(+)-(S)-2-fluoro-N-(2-hydroxymethyl-2,2-dimethylpropyl)-benzamide

Conditions

Conditions	Yield
With triethylamine In 1,4-dioxane for 1.5h;	99%

: 112245-13-3
(S)-tert-leucinol

: 1885-29-6
anthranilic acid nitrile

: 194350-71-5
2-[(4S)-4-(tert-butyl)-4,5-dihydro-1,3-oxazol-2-yl]aniline

Conditions

Conditions	Yield
With zinc(II) chloride In chlorobenzene for 24h; Inert atmosphere; Reflux;	99%
With zinc(II) chloride In dichloromethane at 140℃; for 24h;	85%
With zinc(II) chloride In chlorobenzene at 130℃; for 36h;	82%

: 14371-10-9
(E)-3-phenylpropenal

: 112245-13-3
(S)-tert-leucinol

: (S)-3,3-Dimethyl-2-[(E)-3-phenyl-prop-2-en-(E)-ylideneamino]-butan-1-ol

Conditions

Conditions	Yield
In diethyl ether for 1.33333h; Ambient temperature;	99%

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

: 112245-13-3
(S)-tert-leucinol

: 153645-26-2
N-Boc-L-tert-leucinol

Conditions

Conditions	Yield
Stage #1: di-tert-butyl dicarbonate With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h; Stage #2: (S)-tert-leucinol In dichloromethane at 20℃; for 12h;	99%
With triethylamine In dichloromethane at 0 - 20℃; Acylation;	93%
With iodine at 20℃; for 3h;	92%

: 112245-13-3
(S)-tert-leucinol

: 1538-75-6
2,2-dimethylpropanoic anhydride

: 383149-98-2
N-(1-hydroxymethyl-2,2-dimethyl-propyl)-2,2-dimethyl-propanamide

Conditions

Conditions	Yield
Stage #1: 2,2-dimethylpropanoic anhydride With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h; Stage #2: (S)-tert-leucinol In dichloromethane at 20℃; for 6h;	99%
With vanadyl triflate In dichloromethane at 20℃; for 15h;	97%

: 112245-13-3
(S)-tert-leucinol

: 109-94-4
formic acid ethyl ester

: 534601-53-1
(+)-(2S)-(formylamino)-3,3-dimethyl-1-butanol

Conditions

Conditions	Yield
Reflux;	99%
for 3h; Heating;	89%
for 2h; Heating;

: 773-64-8
2-mesitylenesulphonyl chloride

: 112245-13-3
(S)-tert-leucinol

: 678166-23-9
(2S)-N-(2,4,6-trimethylbenzenesulfonyl)-2-amino-3,3-dimethyl-butanol

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 18h;	99%
With triethylamine In chloroform; N,N-dimethyl-formamide at 0℃; for 16h;	94%

: 3739-94-4
2,6-Pyridinedicarbonyl dichloride

: 112245-13-3
(S)-tert-leucinol

: N2,N6-bis((S)-1-hydroxy-3,3-dimethylbutan-2-yl)pyridine-2,6-dicarboxamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 16h;	99%
With triethylamine In dichloromethane for 12h; Reflux;	66%
In chloroform at 0℃;

: 112245-13-3
(S)-tert-leucinol

: 108-24-7
acetic anhydride

: N-(1-hydroxymethyl-2,2-dimethyl-propyl) acetamide

Conditions

Conditions	Yield
Stage #1: acetic anhydride With molybdenium(VI) dioxodichloride In dichloromethane at 20℃; for 0.5h; Stage #2: (S)-tert-leucinol In dichloromethane at 20℃; for 2h;	99%

: 112245-13-3
(S)-tert-leucinol

: 98-59-9
p-toluenesulfonyl chloride

: 887255-41-6
(S)-(+)-N-(1-hydroxymethyl-2,2-dimethylpropyl)-4-methylbenzenesulfonamide

Conditions

Conditions	Yield
With dmap; triethylamine In dichloromethane at 0 - 25℃;	99%
With triethylamine In dichloromethane at 0 - 20℃; for 18h;	99%
With triethylamine In dichloromethane at 20℃; for 16h;

(S)-tert-Leucinol Chemical Properties

Molecular Structure of 1-Butanol,2-amino-3,3-dimethyl-, (2S)- (CAS NO.112245-13-3):

IUPAC Name: [(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]azanium
Empirical Formula: C₆H₁₅NO
Molecular Weight: 117.189
H bond acceptors: 2
H bond donors: 3
Freely Rotating Bonds: 4
Polar Surface Area: 12.47 Å²
Index of Refraction: 1.451
Molar Refractivity: 34.84 cm³
Molar Volume: 129.1 cm³
Surface Tension: 32.7 dyne/cm
Density: 0.907 g/cm³
Flash Point: 73.8 °C
Enthalpy of Vaporization: 50.58 kJ/mol
Boiling Point: 198.5 °C at 760 mmHg
Vapour Pressure: 0.0906 mmHg at 25°C
Melting point: 30-34 °C(lit.)
Product Categories: Pharmaceutical Intermediates; Amino Alcohols; Amino Alcohols (Chiral); Chiral Building Blocks; Synthetic Organic Chemistry; Amino alcohols

(S)-tert-Leucinol Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 10-23

(S)-tert-Leucinol Specification

1-Butanol,2-amino-3,3-dimethyl-, (2S)- , with CAS number of 112245-13-3, can be called 2-Amino-3,3-dimethyl-1-butanol ; h-tle-ol;h-(tbu)gly-ol ; l-t-leucinol ; l-(+)-tert-leucinol ; l-tert-leucinol ; l-t-butylglycinol ; (s)-2-amino-3,3-dimethylbutanol ; (S)-2-Amino-3,3-dimethylbutanol ; (S)-2-Amino-3,3-dimethyl-1-butanol ; 1-Butanol,2-amino-3,3-dimethyl-, (S)- . It is a white crystalline low melting mass.

Product Name

(S)-TERT-LEUCINOL

Synthetic route

(S)-tert-Leucinol Chemical Properties

(S)-tert-Leucinol Safety Profile

(S)-tert-Leucinol Specification

Related Products

Hot Products