CAS No.4326-36-7,Boc-L-Tyrosine methyl ester Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	4326-36-7
Name:	Boc-L-Tyrosine methyl ester
Article Data:	105

Formula:	C₁₅H₂₁NO₅
Molecular Weight:	295.335
Synonyms:	methyl (2S)-3-(4-hydroxyphenyl)-2-(tert-butoxycarbonylamino)propanoate;Boc-Tyr-OMe;N-BOC-L-Tyr-Ome;N-Boc-L-Tyrosine Methyl ester;
EINECS:	1533716-785-6
Density:	1.169 g/cm³
Melting Point:	100-104 °C(lit.)
Boiling Point:	452.7 °C at 760 mmHg
Flash Point:	227.6 °C
Safety:	24/25
PSA:	84.86000
LogP:	2.39190

Synthetic route

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

: 1080-06-4
L-Tyr-OMe

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With sodium hydrogencarbonate In ethanol at 20℃; for 15h;	100%
With triethylamine In dichloromethane	100%
In tetrahydrofuran at 20℃; for 14.1667h;	97%

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

: 3417-91-2
L-tyrosine methyl ester HCl

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With TEA In N,N-dimethyl-formamide at 60℃; for 0.5h;	100%
With triethylamine In methanol at 0 - 20℃; for 2.25h;	100%
Stage #1: L-tyrosine methyl ester HCl With triethylamine In dichloromethane at 0℃; for 0.5h; Stage #2: di-tert-butyl dicarbonate In dichloromethane at 20℃;	99%

: 3978-80-1
Boc-Tyr-OH

: 74-88-4
methyl iodide

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 0.566667h; Inert atmosphere;	100%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; Inert atmosphere;	88%
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 25℃; for 20h;	85%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	65%
With sodium hydrogencarbonate In N,N-dimethyl-formamide for 5h;

: 3978-80-1
Boc-Tyr-OH

: 77-78-1
dimethyl sulfate

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With lithium hydroxide In tetrahydrofuran for 2h; Methylation; esterification; Heating;	100%

: 67-56-1
methanol

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

: 60-18-4
L-tyrosine

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
Stage #1: methanol; L-tyrosine With thionyl chloride for 3h; Inert atmosphere; Heating; Stage #2: di-tert-butyl dicarbonate With triethylamine In methanol for 20h; Inert atmosphere;	100%
Stage #1: methanol; L-tyrosine With thionyl chloride Heating; Stage #2: di-tert-butyl dicarbonate With sodium hydrogencarbonate In 1,4-dioxane; water at 20℃; Further stages.;

...Expand

: 147363-23-3
methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[4-(prop-2-en-1-yloxy)phenyl]-propanoate

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With dimethylamine borane; tetrakis(triphenylphosphine) palladium(0) In dichloromethane at 20℃; deallylation;	90%
With tetrakis(triphenylphosphine) palladium(0); phenylsilane In dichloromethane Ambient temperature;	77%
With cisplatin In aq. phosphate buffer; dimethyl sulfoxide at 37℃; for 24h; pH=7.4;

: 1671-87-0
3,6-di(2'-pyridyl)-1,2,4,5-tetrazine

: O-vinyl-N-(tert-butoxycarbonyl)-L-tyrosine methyl ester

A: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

B: 36901-11-8
3,6-di(pyridin-2'-yl)-s-tetrazine

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 72h; Inert atmosphere;	A 68% B 65%

...Expand

: 113850-76-3
N-(tert-butoxycarbonyl)-4-iodo-L-phenylalanine methyl ester

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With oxygen; triethylamine In acetonitrile at 32℃; for 24h; Schlenk technique; UV-irradiation;	58%

: 106-41-2
4-bromo-phenol

: 93267-04-0
N-(tert-butoxycarbonyl)-L-3-iodoalanine methyl ester

: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
Stage #1: N-(tert-butoxycarbonyl)-L-3-iodoalanine methyl ester With iodine; zinc In N,N-dimethyl-formamide at 20℃; Inert atmosphere; Stage #2: 4-bromo-phenol With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl-formamide at 50℃; for 3h; Negishi coupling; Inert atmosphere;	51%
Stage #1: N-(tert-butoxycarbonyl)-L-3-iodoalanine methyl ester With iodine; zinc In N,N-dimethyl-formamide for 0.0833333h; Stage #2: 4-bromo-phenol With tris-(o-tolyl)phosphine; palladium diacetate In N,N-dimethyl-formamide at 50℃; for 2h; Negishi cross-coupling; Further stages.;	23%

: 540-38-5
4-Iodophenol

: 93267-04-0
N-(tert-butoxycarbonyl)-L-3-iodoalanine methyl ester

A: 915040-50-5
(2S,5S)-2,5-bis-tert-butoxycarbonylaminohexane-1,6-dioic acid dimethyl ester

B: 4326-36-7
(S)-N-(tert-butoxycarbonyl)tyrosine methyl ester

Conditions

Conditions	Yield
With N,N,N,N,-tetramethylethylenediamine; dichloro bis((p-dimethylaminophenyl)-ϖ-di-tert-butylphosphine)palladium(II); zinc In water at 65℃; for 4h; Negishi coupling reaction; Inert atmosphere;	A n/a B 35%

...Expand

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Chemistry

Molecule structure of Boc-L-Tyrosine methyl ester (CAS NO.4326-36-7):

IUPAC Name: Methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Molecular Weight: 295.33094 g/mol
Molecular Formula: C₁₅H₂₁NO₅
Density: 1.169 g/cm³
Melting Point: 100-104 °C(lit.)
Boiling Point: 452.7 °C at 760 mmHg
Flash Point: 227.6 °C
Index of Refraction: 1.523
Molar Refractivity: 77.18 cm³
Molar Volume: 252.4 cm³
Surface Tension: 43.2 dyne/cm
Enthalpy of Vaporization: 73.93 kJ/mol
Vapour Pressure: 8.19E-09 mmHg at 25 °C
XLogP3: 1.7
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 7
Tautomer Count: 4
Exact Mass: 295.141973
MonoIsotopic Mass: 295.141973
Topological Polar Surface Area: 84.9
Heavy Atom Count: 21
Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)OC
Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)OC
InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-H3,
(H,16,19)/t12-/m0/s1
InChIKey: NQIFXJSLCUJHBB-LBPRGKRZSA-N
Product Categories of Boc-L-Tyrosine methyl ester (CAS NO.4326-36-7): Amino Acids; Tyrosine [Tyr, Y]; Boc-Amino Acids and Derivative; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino acid series

Safety Profile

WGK Germany: 3

Specification

Boc-L-Tyrosine methyl ester (CAS NO.4326-36-7) is also named as L-tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester ; Methyl N-(tert-butoxycarbonyl)-L-tyrosinate ; N-(tert-Butoxycarbonyl)-L-tyrosine methyl ester .