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| CAS No.: | 6456-74-2 |
|---|---|
| Name: | tert-Butyl glycinate |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C6H13NO2 |
| Molecular Weight: | 131.175 |
| Synonyms: | Glycine,tert-butyl ester (6CI,7CI,8CI);1,1-Dimethylethyl glycinate;Aminoacetic acidtert-butyl ester;Aminoacetic acid tert-butyl ester;[(tert-Butoxycarbonyl)methyl]amine;tert-Butyl 2-aminoacetate;tert-Butylaminoacetate;tert-Butyl glycinate; |
| EINECS: | 1533716-785-6 |
| Density: | 0.973 g/cm3 |
| Melting Point: | 148-150 °C (decomp) |
| Boiling Point: | 145.7 °C at 760 mmHg |
| Flash Point: | 20.7 °C |
| Solubility: | Miscible with acetone and methanol. Slightly miscible with ehtanol. Immiscible with water. |
| Appearance: | White crystalline powder/Colorless Clear Liquid |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36/37/39 |
| PSA: | 52.32000 |
| LogP: | 0.98710 |
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tert-butyl N-(benzyloxycarbonyl)glycinate
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With hydrogen; palladium on activated charcoal In ethanol | 92% |
| With hydrogen; palladium on activated charcoal In ethanol | |
| With hydrogen; palladium on activated charcoal In methanol |
| Conditions | Yield |
|---|---|
| With ammonia In diethyl ether 1.) -40 deg C, 2 h, 2.) RT, overnight; | 90% |
| With ammonia In diethyl ether at -40℃; | 87% |
| With ammonia at -78℃; for 48h; Inert atmosphere; | 72% |
| With ammonia In diethyl ether at -40℃; | 70% |
| Multi-step reaction with 2 steps 1: aq. NaN3 / acetone 2: H2 / Pd-C / methanol View Scheme |
- 35661-42-8
N-(9-fluorenylmethoxycarbonyl)glycine tert-butyl ester
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With triethylamine; 1-butyl-3-methylimidazolium Tetrafluoroborate In neat (no solvent) at 25℃; Green chemistry; | 82% |
- 819050-60-7
(2,2,2-trichloro-ethoxycarbonylamino)-acetic acid tert-butyl ester
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With 1-methyl-1H-imidazole; zinc In ethyl acetate for 6h; | 57% |
| Conditions | Yield |
|---|---|
| With sulfuric acid at 25℃; for 2h; Molecular sieve; chemoselective reaction; | 51% |
- 1245735-65-2
Fms-Gly-OtBu
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With piperidine In N,N-dimethyl-formamide at 25℃; for 0.166667h; |
- 81477-94-3
N-(diphenylmethylene)glycine tert-butyl ester
A
- 119-61-9
benzophenone
B
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With cesiumhydroxide monohydrate In dichloromethane; toluene |
- 81477-94-3
N-(diphenylmethylene)glycine tert-butyl ester
- 6456-74-2
Glycine tert-butyl ester
| Conditions | Yield |
|---|---|
| With cycl-isopropylidene malonate; water In ethyl acetate at 20℃; for 8h; |
| Conditions | Yield |
|---|---|
| With sodium sulfate In benzene Ambient temperature; | 100% |
| With trimethyl orthoformate for 8h; | 96% |
| With magnesium sulfate In benzene for 0.5h; Ambient temperature; | 75% |
| With magnesium sulfate In benzene | |
| Stage #1: Glycine tert-butyl ester With magnesium sulfate; triethylamine In dichloromethane at 20℃; for 1h; Stage #2: benzaldehyde In dichloromethane at 20℃; |
- 6456-74-2
Glycine tert-butyl ester
- 72087-11-7
Z-Gly-L-Azy-Gly-OBzl
A
- 27375-61-7
N-carbobenzyloxy-glycyl-glycine tert-butyl ester
B
- 76314-24-4
(2S)-H-Azy-Gly-OBzl
| Conditions | Yield |
|---|---|
| In dichloromethane for 24h; Ambient temperature; | A 84.8% B 100% |
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Specification
The Glycine,1,1-dimethylethyl ester, with the CAS registry number 6456-74-2, has the systematic name of tert-butyl glycinate. It is a kind of air sensitive chemical, and belongs to the product categories of Miscellaneous and Telmisartan. And the molecular formula of the chemical is C6H13NO2.
The characteristics of Glycine,1,1-dimethylethyl ester are as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): 0.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 20.53; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 ?2; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 35.12 cm3; (15)Molar Volume: 134.7 cm3; (16)Polarizability: 13.92 10-24cm3; (17)Surface Tension: 31.6 dyne/cm; (18)Density: 0.973 g/cm3; (19)Flash Point: 20.7 °C; (20)Enthalpy of Vaporization: 38.27 kJ/mol; (21)Boiling Point: 145.7 °C at 760 mmHg; (22)Vapour Pressure: 4.8 mmHg at 25°C.
Uses of Glycine,1,1-dimethylethyl ester: It can react with benzaldehyde to produce benzylidene t-butoxycarbonylmethylamine. This reaction will need reagent anhydrous magnesium sulfate, and the menstruum benzene. The reaction time is 0.5 hours with ambient temperature, and the yield is about 75%.
You should be cautious while dealing with this chemical. It irritates to eyes and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CN
(2)InChI: InChI=1/C6H13NO2/c1-6(2,3)9-5(8)4-7/h4,7H2,1-3H3
(3)InChIKey: SJMDMGHPMLKLHQ-UHFFFAOYAE