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Cas Database |
| Name |
L-Phenylglycinamide |
EINECS | 813-110-6 |
| CAS No. | 6485-52-5 | Density | 1.178 g/cm3 |
| PSA | 69.11000 | LogP | 1.57230 |
| Solubility | N/A | Melting Point |
131-132 °C |
| Formula | C8H10N2O | Boiling Point | 322.8 °C at 760 mmHg |
| Molecular Weight | 150.18 | Flash Point | 149 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Acetamide,2-amino-2-phenyl-, L-(+)- (8CI);Benzeneacetamide, α-amino-, (S)-;(2S)-2-Amino-2-phenylethanamide;L-Phenylglycinamide;L-Phenylglycine amide;L-α-Phenylglycine amide;(2S)-2-amino-2-phenylethanamide; |
Article Data | 46 |
L-Phenylglycinamide Synthetic route
- 19883-41-1
D-phenylglycine methyl ester hydrochloride
- 6485-52-5
L-phenylglycine amide
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In toluene at 20℃; | 94% |
- 6591-61-3, 24461-61-8, 26682-99-5, 37760-98-8
(S)-Phenylglycine methyl ester
- 6485-52-5
L-phenylglycine amide
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In toluene for 16h; Ambient temperature; | 71% |
| With methanol; ammonia |
- 15028-39-4
L-2-phenylglycine methyl ester hydrochloride
- 6485-52-5
L-phenylglycine amide
| Conditions | Yield |
|---|---|
| With ammonia In water at 20℃; | 71% |
| With ammonium hydroxide for 96h; Ambient temperature; | 68% |
| With ammonium hydroxide |
| Conditions | Yield |
|---|---|
| Stage #1: (S)-2-phenylglycine With thionyl chloride In methanol at 0 - 20℃; Stage #2: (S)-2-phenylglycine In methanol at 20℃; Stage #3: With ammonia In water; toluene at 20℃; | 46% |
| Multi-step reaction with 2 steps 1: 92 percent / thionyl chloride / 0.33 h / Heating 2: 68 percent / 28percent aq. NH3 / 96 h / Ambient temperature View Scheme | |
| Multi-step reaction with 2 steps 2: methanol; NH3 View Scheme |
- 155385-85-6
(-)-1S-<(cyano phenyl methyl)amino>-2R-methyl-5R-(1-methylethenyl)-cyclohexane-1R,3R-dicarbonitrile
A
- 6485-52-5
L-phenylglycine amide
B
- 700-63-0, 6485-52-5, 6485-67-2, 58429-87-1
(R)-phenylglycine amide
| Conditions | Yield |
|---|---|
| With hydrogenchloride In formic acid for 18h; |
- 700-63-0
Phenylglycinamid
A
- 6485-52-5
L-phenylglycine amide
B
- 700-63-0, 6485-52-5, 6485-67-2, 58429-87-1
(R)-phenylglycine amide
| Conditions | Yield |
|---|---|
| Yield given. Yields of byproduct given. Title compound not separated from byproducts; |
- 51581-15-8
phenylglycine butyl ester hydrochloride
A
- 6485-52-5
L-phenylglycine amide
B
- 700-63-0, 6485-52-5, 6485-67-2, 58429-87-1
(R)-phenylglycine amide
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase B-Novozym 435; ammonia In tert-butyl alcohol at 40℃; for 4h; Title compound not separated from byproducts; |
- 72651-17-3
phenylglycine ethyl ester hydrochloride
A
- 6485-52-5
L-phenylglycine amide
B
- 700-63-0, 6485-52-5, 6485-67-2, 58429-87-1
(R)-phenylglycine amide
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase B-Novozym 435; ammonia In tert-butyl alcohol at 40℃; for 4h; Title compound not separated from byproducts; |
- 24461-61-8, 26682-99-5, 37760-98-8, 6591-61-3
phenylglycine methyl ester
A
- 6485-52-5
L-phenylglycine amide
B
- 700-63-0, 6485-52-5, 6485-67-2, 58429-87-1
(R)-phenylglycine amide
| Conditions | Yield |
|---|---|
| With Candida antarctica lipase B; Novozym 435; ammonia In tert-butyl alcohol at 40℃; for 4h; Yield given; Yields of byproduct given. Title compound not separated from byproducts; | |
| With Candida antarctica lipase B on Accurel EP 100-SP 611; ammonia In tert-butyl alcohol at -20℃; for 24h; Title compound not separated from byproducts; |
L-Phenylglycinamide Specification
The Benzeneacetamide, α-amino-, (αS)-, with the CAS registry number 6485-52-5, has the systematic name of (2S)-2-amino-2-phenylethanamide. It belongs to the product category of Protected Amino Acids, and should be stored at 0-5°C. The molecular formula of this chemical is C8H10N2O.
The physical properties of Benzeneacetamide, α-amino-, (αS)- are as following: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.57; (6)ACD/KOC (pH 7.4): 17.88; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.55 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 42.9 cm3; (13)Molar Volume: 127.4 cm3; (14)Polarizability: 17×10-24cm3; (15)Surface Tension: 54 dyne/cm; (16)Density: 1.178 g/cm3; (17)Flash Point: 149 °C; (18)Enthalpy of Vaporization: 56.47 kJ/mol; (19)Boiling Point: 322.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000272 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](N)c1ccccc1
(2)InChI: InChI=1/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/t7-/m0/s1
(3)InChIKey: KIYRSYYOVDHSPG-ZETCQYMHBM
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