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4530-20-5

Basic Information
CAS No.: 4530-20-5
Name: Boc-Glycine
Article Data: 113
Cas Database
Molecular Structure:
Molecular Structure of 4530-20-5 (Boc-Glycine)
Formula: C7H13NO4
Molecular Weight: 175.185
Synonyms: Boc-Gly-OH;tert-Butoxycarbonylglycine;2-(tert-butoxycarbonylamino)acetate;Nalpha-tert-Butyloxycarbonylglycine;t-Butoxycarbonylglycine;N-(Carbo-tert-butoxy)glycine;Glycine, N-[ (1, 1-dimethylethoxy)carbonyl]-;tert-Butyloxycarbonylglycine;N-t-Butyloxycarbonyl glycine;N-[(1, 1-Dimethylethoxy)carbonyl]glycine;N(a)-tert-Butyloxycarbonylglycine;2-(tert-butoxycarbonylamino)acetic acid;N-(tert-butoxycarbonyl)glycine;Glycine, N-carboxy-, N-tert-butyl ester;Glycine, N-carboxy-, N-tert-butyl ester (8CI);N-((1,1-Dimethylethoxy)carbonyl)glycine;N-tert-Butyloxycarbonylglycine;N-t-BOC-Glycine;[(tert-butoxycarbonyl)amino]acetic acid;N-Boc-glycine;
EINECS: 224-864-5
Density: 1.159 g/cm3
Melting Point: 86-89 °C(lit.)
Boiling Point: 315.9 °C at 760 mmHg
Flash Point: 144.9 °C
Solubility: Soluble in water
Appearance: white to off-white powder
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-41-36/37/38-20/21/22
Safety: 26-36/37/39-39-36
Transport Information: UN 2811 6.1/PG 3
PSA: 75.63000
LogP: 0.98660
Synthetic route
24424-99-5

di-tert-butyl dicarbonate

56-40-6

glycine

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With potassium hydroxide In 1,4-dioxane; water at 20℃; for 12h;100%
Stage #1: glycine With sodium hydroxide In 1,4-dioxane; water at 0℃; for 0.25h;
Stage #2: di-tert-butyl dicarbonate In 1,4-dioxane; water at 0 - 20℃;
100%
With sodium hydroxide In 1,4-dioxane100%
83316-95-4

2-oxo-2-phenylethyl 2-(tert-butoxycarbonylamino)acetate

A

4530-20-5

BOC-glycine

B

98-86-2

acetophenone

Conditions
ConditionsYield
With N,N,N',N'-tetramethyl-o-phenylenediamine In acetonitrile for 2h; Irradiation;A 100%
B n/a

tert-butoxycarbonylamino-acetic acid 4-tert-butyl-benzyl ester

A

4530-20-5

BOC-glycine

B

98-51-1

4-tert-butyltoluene

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal for 3h;A 100%
B n/a

(1,1-dioxido-4-oxo-3-phenyl-4H-thiochromen-2-yl)methyl (tert-butoxycarbonyl)glycinate

A

4530-20-5

BOC-glycine

B

1033736-87-6

C16H10O3S

Conditions
ConditionsYield
In chloroform-d1 for 0.25h; Solvent; Photolysis; Inert atmosphere;A 97%
B n/a
56-40-6

glycine

BOC derivative

BOC derivative

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With sodium hydroxide In 1,4-dioxane at 20℃; for 8h;95%

tert-butyl (2,4-dioxo-3-azaspiro[5,5]undecan-3-yl) carbonate

56-40-6

glycine

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With sodium hydroxide In water; acetone at 25℃; for 12h;94%
64205-15-8

(N-hydroxy-5-norbornene-2,3-diformylimino)tert-butyl ester

56-40-6

glycine

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With tertiary amine In 1,4-dioxane; water for 3h;85%
909114-65-4

tert-butyl 4,6-dimethoxy-1,3,5-triazinyl carbonate

56-40-6

glycine

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With triethylamine In methanol at 20℃; for 0.5h;85%
79113-14-7

4-nitrobenzyl N-(tert-butoxycarbonyl)glycinate

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With sodium dithionite; sodium carbonate In acetonitrile80%
56-40-6

glycine

89037-64-9

1-tert-butoxycarbonyloxybenzotriazole

4530-20-5

BOC-glycine

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane; water for 0.166667h; Ambient temperature;80%
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Chemistry

Molecular structure of Boc-glycine (CAS NO.4530-20-5) is:

Product Name: Boc-glycine
CAS Registry Number: 4530-20-5
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Molecular Weight: 175.18242 [g/mol]
Molecular Formula: C7H13NO4
XLogP3-AA: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 4 
EINECS: 224-864-5
Melting Point: 86-89 °C(lit.)
Water Solubility: soluble 
Surface Tension: 40.1 dyne/cm
Density: 1.159 g/cm3
Flash Point: 144.9 °C
Enthalpy of Vaporization: 61.27 kJ/mol
Boiling Point: 315.9 °C at 760 mmHg
Vapour Pressure: 9.08E-05 mmHg at 25°C
Product Categories: Protected Amino Acids;Aminoacids Derivatives;Amino Acid Derivatives;Protected Amino Acid & Peptides;Amino Acids;Glycine [Gly, G];Boc-Amino Acids and Derivative;Amino Acids 13C, 2H, 15N;Absolute Configuration Determination (Exciton Chirality CD Method);Amino Acids (N-Protected);Analytical Chemistry;Biochemistry;Boc-Amino Acids;Enantiomer Excess & Absolute Configuration Determination;Exciton Chirality CD Methodfor (for Monofunctional Compounds);Boc-Amino acid series;Amino Acids & Derivatives

Safety Profile

Safty information about Boc-glycine (CAS NO.4530-20-5) is:
Hazard Codes: HarmfulXn,Xi
Risk Statements: 22-41-36/37/38-20/21/22 
R22:Harmful if swallowed. 
R41:Risk of serious damage to the eyes. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-39-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S39:Wear eye / face protection. 
S36:Wear suitable protective clothing.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3

Specification

 Boc-glycine , its cas register number is 4530-20-5. It also can be called 2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetic acid ; Glycine, N-[(1,1-dimethylethoxy)carbonyl]- ; N-(tert-Butoxycarbonyl)glycine ; Nalpha-tert-Butyloxycarbonylglycine ; t-Butoxycarbonylglycine ; Glycine, N-carboxy-, N-tert-butyl ester (8CI) .It is a white to off-white powder.

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