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CAS No.: | 6485-67-2 |
---|---|
Name: | D(-)-Phenylglycinamide |
Article Data: | 37 |
Molecular Structure: | |
Formula: | C8H10N2O |
Molecular Weight: | 150.18 |
Synonyms: | Acetamide,2-amino-2-phenyl-, D- (8CI);Benzeneacetamide, α-amino-, (R)-;(2R)-2-Amino-2-phenylethanamide;(R)-2-Aminophenylacetamide;(R)-Phenylglycinamide;D-2-Phenylglycinamide;D-Phenylglycinamide;D-Phenylglycine amide;D-(-)-Phenylglycine Amide; |
EINECS: | 211-849-3 |
Density: | 1.1392 (rough estimate) |
Melting Point: | 125-129 ºC |
Boiling Point: | 322.8 °C at 760 mmHg |
Flash Point: | 149 °C |
Appearance: | light yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 37/39-26 |
PSA: | 69.11000 |
LogP: | 1.57230 |
(S)-2,2'-bis(bromomethyl)-1,1'-binaphthyl
(-)-α-aminophenylacetamide
(+)-α-<4,5-dihydro-3H-dinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetamide
Conditions | Yield |
---|---|
With triethylamine In acetonitrile; benzene for 10h; Heating; | 68% |
(R)-2,2'-dibromomethyl-1,1'-binaphthalene
(-)-α-aminophenylacetamide
(-)-α-<4,5-dihydro-3H-dinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetamide
Conditions | Yield |
---|---|
With triethylamine In acetonitrile; benzene for 10h; Heating; | 39% |
2,2'-di(bromomethyl)-1,1'-binaphthalene
(-)-α-aminophenylacetamide
(-)-α-<4,5-dihydro-3H-dinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetamide
(+)-α-<4,5-dihydro-3H-dinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetamide
Conditions | Yield |
---|---|
With triethylamine In acetonitrile; benzene for 10h; Heating; Yield given. Yields of byproduct given; |
(-)-α-aminophenylacetamide
2-(3,5-Dihydro-4-aza-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-3-hydroxy-4-methyl-2-phenyl-pentanenitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme | |
Multi-step reaction with 3 steps 1: 68 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme |
(-)-α-aminophenylacetamide
2-(3,5-Dihydro-4-aza-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-3-hydroxy-2,4-diphenyl-butyronitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme | |
Multi-step reaction with 3 steps 1: 68 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme |
(-)-α-aminophenylacetamide
(-)-α-<2,7-dihydrodinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: 39 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C View Scheme |
(-)-α-aminophenylacetamide
(+)-α-<2,7-dihydrodinaphtho<2,1-c:1',2'-e>azepinyl>-α-phenylacetonitrile
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C View Scheme | |
Multi-step reaction with 2 steps 1: 68 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C View Scheme |
(-)-α-aminophenylacetamide
2-(3,5-Dihydro-4-aza-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-3-hydroxy-2-phenyl-butyronitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexan, -78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme | |
Multi-step reaction with 3 steps 1: 39 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexan, -78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme |
(-)-α-aminophenylacetamide
2-(3,5-Dihydro-4-aza-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-3-hydroxy-2-phenyl-hexanenitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme | |
Multi-step reaction with 3 steps 1: 39 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, - 78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme |
(-)-α-aminophenylacetamide
2-(3,5-Dihydro-4-aza-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-3-hydroxy-2-phenyl-hexanenitrile
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, -78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme | |
Multi-step reaction with 3 steps 1: 68 percent / Et3N / benzene; acetonitrile / 10 h / Heating 2: 94 percent / POCl3 / dimethylformamide / 0 °C 3: LDA / 1.) THF, hexane, -78 deg C, 1 h, 2.) - 78 deg C, 3 h View Scheme |
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The Benzeneacetamide,α-amino-, (αR)-, with the CAS registry number 6485-67-2, is also known as D(-)-Phenylglycinamide. It belongs to the product categories of Protected Amino Acids; Pharmaceutical Intermediates. Its EINECS number is 211-849-3. This chemical's molecular formula is C8H10N2O and formula weight is 150.18. What's more, its IUPAC name is 2-(2-fluoro-4-hydroxyphenyl)acetic acid.
Physical properties of Benzeneacetamide,α-amino-, (αR)- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 20.31 Å2; (7)Flash Point: 149 °C; (8)Enthalpy of Vaporization: 56.47 kJ/mol; (9)Boiling Point: 322.8 °C at 760 mmHg; (10)Vapour Pressure: 0.000272 mmHg at 25°C; (11)Tautomer Count: 2; (12)Topological Polar Surface Area: 70.7; (13)Heavy Atom Count: 11; (14)Formal Charge: 1; (15)Complexity: 141.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Besides, you should wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C(=O)N)[NH3+]
(2)Isomeric SMILES: C1=CC=C(C=C1)[C@H](C(=O)N)[NH3+]
(3)InChI: InChI=1S/C8H10N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H2,10,11)/p+1/t7-/m1/s1
(4)InChIKey: KIYRSYYOVDHSPG-SSDOTTSWSA-O