CAS No.1149-26-4,N-Carbobenzyloxy-L-valine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1149-26-4
Name:	N-Carbobenzyloxy-L-valine
Article Data:	91

Formula:	C₁₃H₁₇NO₄
Molecular Weight:	251.282
Synonyms:	N-Carbobenzoxyvaline;N-Cbz-L-Valine;Z-Val-OH;N-CBZ-L-Val-OH;Valine,N-carboxy-, N-benzyl ester, L- (8CI);(+)-N-[(Phenylmethoxy)carbonyl]-L-valine;(2S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid;(S)-2-[(Benzyloxycarbonyl)amino]-3-methylbutanoic acid;Benzyloxycarbonyl-L-valine;CBZ-L-valine;Carbobenzoxy-L-valine;N-(Benzyloxycarbonyl)-L-valine;N-(Benzyloxycarbonyl)valine;N-Benzyloxycarbonyl-(S)-valine;
EINECS:	214-562-1
Density:	1.182 g/cm³
Melting Point:	62-64 °C(lit.)
Boiling Point:	432.6 °C at 760 mmHg
Flash Point:	215.4 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi,Xn
Risk Codes:	38-43-36/37/38-20/21/22
Safety:	36/37-36-26
PSA:	75.63000
LogP:	2.41290

Synthetic route

: 72-18-4
L-valine

: 501-53-1
benzyl chloroformate

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With sodium hydrogencarbonate In water Inert atmosphere;	100%
With sodium hydroxide In water at 0 - 20℃;	100%
With potassium carbonate In water at 0 - 2℃; pH=1.5 - Ca. 2; Reagent/catalyst; pH-value; Temperature; Solvent;	99%

: 1431461-34-5
C13H15N2O2(1+)*CF3O3S(1-)

: 1428647-69-1
(L)-valine methyl ester triflate

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
Stage #1: C13H15N2O2(1+)*CF3O3S(1-); (L)-valine methyl ester triflate With 1,1’-carbonylbis-(3-ethylimidazolium) triflate In nitromethane at 20℃; for 60h; Inert atmosphere; Stage #2: With water; sodium hydroxide In nitromethane at 20℃; for 2h; Inert atmosphere;	80%

: 6216-65-5
N-benzyloxycarbonyl-L-valinol

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With 2-hydroxypyridin; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 20℃; for 72h;	79%

: (S)-2-Benzyloxycarbonylamino-3-methyl-butyric acid 3-methyl-but-2-enyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With cerium(III) chloride; sodium iodide In acetonitrile for 2h; Heating;	92%
With sodium hydrogen sulfate; silica gel In dichloromethane at 20℃; for 5h;	91%
With sodium iodide; zirconium(IV) chloride In acetonitrile for 2h; Heating;	91%

: 394210-42-5
4-isopropyl-2,5-dioxo-oxazolidine-3-carboxylic acid benzyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
Stage #1: 4-isopropyl-2,5-dioxo-oxazolidine-3-carboxylic acid benzyl ester With methanol; 4 A molecular sieve In diethyl ether at 0℃; for 22h; Stage #2: With water Further stages.;	40%

: 16874-02-5
benzyl (S)-1-(tert-butoxycarbonyl)-2-methylpropylcarbamate

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 1.08333h;

: DL-Val/PyS

: 501-53-1
benzyl chloroformate

A: 1685-33-2
N-[(benzyloxy)carbonyl]-D-valine

B: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
Stage #1: DL-Val/PyS With alpha cyclodextrin In ethanol; dimethyl sulfoxide at 30℃; for 24h; Stage #2: benzyl chloroformate

...Expand

: 78031-88-6
(S)-2-Benzyloxycarbonylamino-3-methyl-butyric acid 2,2-dibromo-1-tert-butylcarbamoyl-propyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With sodium metaborate; cobalt(II) phthalocyanine In ethanol at 20℃; for 1h;	64%

: 122665-04-7
(S)-2-Benzyloxycarbonylamino-3-methyl-butyric acid allyl ester

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With morpholine; 1,8-diazabicyclo[5.4.0]undec-7-ene; triphenylphosphine; bis(dibenzylideneacetone)-palladium(0) In acetonitrile at 30℃; for 12h;	79%

: 17498-50-9, 25616-14-2, 31320-20-4
L-valine hydrochloride

: 501-53-1
benzyl chloroformate

: 1149-26-4
(S)-N-(benzyloxycarbonyl)valine

Conditions

Conditions	Yield
With sodium carbonate In tetrahydrofuran; water at 0 - 20℃; for 16h; Solvent; Temperature;

Raw Materials

501-53-1

Downstream Products

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Chemistry

Molecular Structure of N-Carbobenzyloxy-L-valine (CAS NO.1149-26-4):

IUPAC Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
Empirical Formula: C₁₃H₁₇NO₄
Molecular Weight: 251.2784
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 6
Index of Refraction: 1.531
Molar Refractivity: 65.81 cm³
Molar Volume: 212.4 cm³
Surface Tension: 45.5 dyne/cm
Density: 1.182 g/cm³
Flash Point: 215.4 °C
Enthalpy of Vaporization: 72.56 kJ/mol
Boiling Point: 432.6 °C at 760 mmHg
Vapour Pressure: 2.99E-08 mmHg at 25°C
Melting point: 62-64 °C(lit.)
Storage temp: 2-8°C
InChI
InChI=1/C13H17NO4/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16)
Smiles
C(N[C@@H](C(=O)O)C(C)C)(=O)OCc1ccccc1
EINECS: 214-562-1
Product Categories: Miscellaneous Biochemicals; chiral; protected amino acid & peptides; Valine [Val, V];Z-Amino Acids and Derivatives; Amino Acids; Amino Acids (N-Protected); Biochemistry; Cbz-Amino Acids; Chiral Compounds; Cbz-Amino acid series

Safety Profile

N-Carbobenzyloxy-L-valine (CAS NO.1149-26-4)'s Hazard Codes: Irritant Xi, Harmful Xn
N-Carbobenzyloxy-L-valine (CAS NO.1149-26-4)'s Risk Statements:
38: Irritating to the skin
43: May cause sensitization by skin contact
20/21/22: Harmful by inhalation, in contact with skin and if swallowed 36/37/38: Irritating to eyes, respiratory system and skin
N-Carbobenzyloxy-L-valine (CAS NO.1149-26-4)'s Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
36/37: Wear suitable protective clothing and gloves
WGK Germany: 3
Hazard Note: Irritant

Specification

N-Carbobenzyloxy-L-valine , with CAS number of 1149-26-4, can be called (2S)-2-{[(Benzyloxy)carbonyl]amino}-3-methylbutanoic acid ; Benzyloxycarbonyl-L-valine ; Carbobenzoxy-L-valine ; DL-Valine, N-[(phenylmethoxy)carbonyl]- ; L-valine, N-[(phenylmethoxy)carbonyl]- ; N-[(Benzyloxy)carbonyl]-L-valin ; N-[(Benzyloxy)carbonyl]-L-valine ; N-Benzyloxycarbonyl-(S)-valine ; N-Carbobenzoxy-DL-valine . It is a white to light yellow crystal powde, N-Carbobenzyloxy-L-valine (CAS NO.1149-26-4) is used as drug intermediates.