CAS No.79069-13-9,N-Boc-L-alaninol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79069-13-9
Name:	N-Boc-L-alaninol
Article Data:	172

Formula:	C₈H₁₇NO₃
Molecular Weight:	175.228
Synonyms:	Carbamicacid, (2-hydroxy-1-methylethyl)-, 1,1-dimethylethyl ester, (S)-;((S)-2-Hydroxy-1-methylethyl)carbamic acid tert-butyl ester;(1S)-N-(tert-Butoxycarbonyl)-1-methyl-2-hydroxyethylamine;(S)-(-)-2-(tert-Butoxycarbonylamino)-1-propanol;(S)-2-(N-tert-Butoxycarbonylamino)propan-1-ol;(S)-2-tert-Butoxycarbonylamino-1-propanol;(S)-N-Boc-alaninol;N-tert-Butoxycarbonyl-L-alaninol;
EINECS:	807-439-4
Density:	1.025 g/cm³
Melting Point:	58-61 °C
Boiling Point:	276.4 °C at 760 mmHg
Flash Point:	121 °C
Safety:	22-24/25
PSA:	58.56000
LogP:	1.28280

Synthetic route

: 2749-11-3
(S)-Alaninol

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

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium hydroxide In 1,4-dioxane at 20℃; for 3h;	100%
With triethylamine In methanol at 20℃; for 12h;	100%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 12h;	100%

: 28875-17-4
(S)-N-(tert-butoxycarbonyl)alanine methyl ester

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran; methanol at 65℃; for 1h;	100%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃;	97%
With RuH(η1-BH4)(dppp)((R,R)-dpen); hydrogen In tetrahydrofuran at 80℃; under 37503.8 Torr; for 16h; Autoclave;	96%

: 5856-62-2
(S)-2-aminobutan-1-ol

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

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0 - 20℃; for 6h; Inert atmosphere;	97%

: 15761-38-3
L-N-Boc-Ala

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 0℃; other substrates, also with LiAlH4 and DIBAL;	95%
With borane-THF In tetrahydrofuran at 0℃;	95%
Stage #1: L-N-Boc-Ala With 4-methyl-morpholine; 1,3,5-trichloro-2,4,6-triazine In 1,2-dimethoxyethane at 20℃; for 3h; Esterification; Stage #2: With sodium tetrahydroborate In water at 0℃; Reduction;	90%

: 17693-17-3
N-(tert-butoxycarbonyl)-L-alanine pentachlorophenyl ester

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate; iodine In tetrahydrofuran at 20℃; Reduction;	89%

: 909297-88-7
(S)-tert-butyl 1-(tert-butyldimethylsilyloxy)propan-2-ylcarbamate

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 0.5h;	89%

: 338-69-2
D-Alanine

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

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
Stage #1: D-Alanine With lithium aluminium tetrahydride In tetrahydrofuran for 12h; Reflux; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; dichloromethane; water at 60℃; for 6h;	63%

: 115378-33-1
(-)-tert-butyl [(1S)-1-methylprop-2-en-1-yl]carbamate

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
Yield given. Multistep reaction;
Multi-step reaction with 2 steps 1.1: potassium osmate(VI) dihydrate; 4-methylmorpholine N-oxide / water; acetone / 16 h / 20 °C 1.2: 20 °C 2.1: sodium tetrahydroborate / diethyl ether; methanol / 20 °C View Scheme

: N2-Boc-L-alanine ethoxycarbonic anhydride

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In methanol Yield given;

: 3392-05-0
Boc-Ala-O-N-hydroxysuccinimide

: 79069-13-9
(S)-2-t-butoxycarbonylaminopropan-1-ol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 2.5h;
With sodium tetrahydroborate In water at 0℃;	0.28 g

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Chemistry

Molecular structure of N-Boc-L-alaninol (CAS NO.79069-13-9) is:

Product Name: N-Boc-L-alaninol
CAS Registry Number: 79069-13-9
IUPAC Name: tert-Butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
Molecular Formula: C₈H₁₇NO₃
Molecular Weight: 175.2255
Density: 1.025 g/cm³
Melting Point: 58-61 °C
Boiling Point: 276.4 °C at 760 mmHg
Flash Point: 121 °C
Freely Rotating Bonds: 5
Index of Refraction: 1.45
Molar Refractivity: 45.94 cm³
Molar Volume: 170.8 cm³
Surface Tension: 33.9 dyne/cm
Enthalpy of Vaporization: 59.78 kJ/mol
Vapour Pressure: 0.000597 mmHg at 25°C
Product Categories: N-BOC;straight chain compounds;Amino Acids;Amino Alcohols;Boc-Amino acid series

Uses

N-Boc-L-alaninol (CAS NO.79069-13-9) is used as pharmaceutical intermediate.

Safety Profile

Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: Avoid contact with skin and eyes.
WGK Germany: 3
F: 9-21
F 9: Keep under nitrogen.
F 21: Sensitive to humidity.

Specification

N-Boc-L-alaninol , its cas register number is 79069-13-9. It also can be called Boc-alaninol ; Boc-ala-ol ; Boc-L-alaninol ; Boc-L-ala-oL ; Boc-(S)-2-amino-1-propanol ; (S)-(-)-2-(tert-Butoxycarbonylamino)-1-propanoL ; (S)-2-(tert-Butoxycarbonylamino)-1-propanol ; (S)-2-(tert-Butyloxycarbonyl-amino)-1-propanol .