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Name |
1-Propanol,2-[(phenylmethyl)amino]-, (2S)- |
EINECS | N/A |
CAS No. | 6940-80-3 | Density | 1.02 g/cm3 |
PSA | 32.26000 | LogP | 1.54790 |
Solubility | N/A | Melting Point |
47-49 °C(Solv: cyclohexane (110-82-7); ligroine (8032-32-4)) |
Formula | C10H15NO | Boiling Point | 292.2 °C at 760 mmHg |
Molecular Weight | 165.235 | Flash Point | 120 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Propanol,2-(benzylamino)-, L-(+)- (8CI);1-Propanol, 2-[(phenylmethyl)amino]-, (S)-;(2S)-(Benzylamino)propan-1-ol;(S)-2-Benzylamino-1-propanol;(S)-N-Benzylalaninol;N-Benzyl-L-alaninol;NSC 60401; |
Article Data | 27 |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 3h; Heating; | 87% |
With lithium aluminium tetrahydride In tetrahydrofuran for 3.5h; Reduction; Heating; | |
With lithium aluminium tetrahydride In tetrahydrofuran |
Conditions | Yield |
---|---|
Stage #1: (S)-Alaninol; benzaldehyde In ethanol for 6h; Reflux; Stage #2: With sodium tetrahydroborate In ethanol at 20℃; for 4h; Cooling with ice; | 86% |
With sodium tetrahydroborate In methanol at 0℃; for 1h; | 84% |
With sodium cyanoborohydride; acetic acid In methanol Ambient temperature; | 75.3% |
N-benzylalanine
(S)-N-benzylalaninol
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran for 5h; Heating; | 77% |
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride; diethyl ether | |
With sodium hydroxide; sodium tetrahydroborate; sulfuric acid 1.) THF, ether, room temp., overnight 2.) reflux, 3 h; Yield given. Multistep reaction; | |
With lithium aluminium tetrahydride In tetrahydrofuran for 24h; Heating; | |
With lithium aluminium tetrahydride In tetrahydrofuran Heating; |
Conditions | Yield |
---|---|
With L-Tartaric acid |
N-benzyl-(S)-alanine
(S)-N-benzylalaninol
Conditions | Yield |
---|---|
With lithium borohydride; chloro-trimethyl-silane In tetrahydrofuran for 24h; |
Conditions | Yield |
---|---|
Multistep reaction; |
(S)-2-{[1-Phenyl-meth-(E)-ylidene]-amino}-propan-1-ol
(S)-N-benzylalaninol
Conditions | Yield |
---|---|
With sodium tetrahydroborate In methanol at 0℃; for 2h; | |
With sodium tetrahydroborate In ethanol | |
With sodium tetrahydroborate In ethanol at 20℃; for 2h; | |
With sodium tetrahydroborate | |
With sodium tetrahydroborate In ethanol at 0℃; |
(S)-3-benzyl-4-methyl-[1,2,3]-oxathiazolidine-2,2-dioxide
(S)-N-benzylalaninol
Conditions | Yield |
---|---|
Stage #1: bis(tetraethylammonium) carbonate; (S)-3-benzyl-4-methyl-[1,2,3]-oxathiazolidine-2,2-dioxide In acetonitrile Stage #2: With sulfuric acid | 73 mg |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 4 Angstroem molecular sieves / CH2Cl2 / 3 h / 20 °C 2: sodium borohydride / ethanol / 2 h / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1: 4 Angstroem molecular sieves 2: NaBH4 View Scheme |
The 1-Propanol,2-[(phenylmethyl)amino]-, (2S)-, with the CAS registry number 6940-80-3, is also known as N-Benzyl-l-alaninol. This chemical's molecular formula is C10H15NO and molecular weight is 165.23. What's more, both its IUPAC name and systematic name are the same which is called (2S)-2-(Benzylamino)propan-1-ol.
Physical properties about 1-Propanol,2-[(phenylmethyl)amino]-, (2S) are: (1).ACD/LogP: 1.47; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -0.1; (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): 4.01; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.15 cm3; (15)Molar Volume: 161.9 cm3; (16)Polarizability: 19.88×10-24cm3; (17)Surface Tension: 39.2 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 120 °C; (20)Enthalpy of Vaporization: 56.16 kJ/mol; (21)Boiling Point: 292.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000848 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@@H](NCc1ccccc1)C
(2) InChI: InChI=1/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/m0/s1
(3) InChIKey: PJXWCRXOPLGFLX-VIFPVBQEBR