Products Categories
CAS No.: | 170985-85-0 |
---|---|
Name: | 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C13H20N2O2 |
Molecular Weight: | 236.314 |
Synonyms: | Hydrazinecarboxaldehyde,2-[1-ethyl-2-(phenylmethoxy)propyl]-, [S-(R*,R*)]-;N'-[(2S,3S)-2-(benzyloxy)pentan-3-yl]formic hydrazide; |
EINECS: | 1308068-626-2 |
Density: | 1.042 g/cm3 |
Boiling Point: | 338.531 °C at 760 mmHg |
Flash Point: | 158.538 °C |
PSA: | 50.36000 |
LogP: | 3.03860 |
ethyl bromide
(S)-N'-(2-(benzyloxy)propylidene) formohydrazide
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Stage #1: ethyl bromide With iodine; magnesium In tert-butyl methyl ether at 40 - 55℃; for 2h; Inert atmosphere; Stage #2: (S)-N'-(2-(benzyloxy)propylidene)formylhydrazide With N,O-bis-(trimethylsilyl)-acetamide In tert-butyl methyl ether at 5 - 30℃; for 9h; Temperature; Inert atmosphere; | 66% |
Stage #1: ethyl bromide With iodine; magnesium In tert-butyl methyl ether at 40 - 53℃; for 2h; Inert atmosphere; Stage #2: (S)-N'-(2-(benzyloxy)propylidene)formylhydrazide With N,O-bis-(trimethylsilyl)-acetamide In tert-butyl methyl ether at 5 - 30℃; for 9h; Temperature; Inert atmosphere; | 60% |
Stage #1: ethyl bromide With iodine; magnesium In tert-butyl methyl ether at 40 - 55℃; for 2h; Inert atmosphere; Stage #2: (S)-N'-(2-(benzyloxy)propylidene)formylhydrazide With N,O-bis-(trimethylsilyl)-acetamide In tert-butyl methyl ether at 0 - 30℃; Inert atmosphere; | 48 g |
Stage #1: ethyl bromide With iodine; magnesium In tert-butyl methyl ether at 40 - 55℃; Inert atmosphere; Stage #2: (S)-N'-(2-(benzyloxy)propylidene)formylhydrazide With N,O-bis-(trimethylsilyl)-acetamide In tert-butyl methyl ether at 25 - 30℃; for 1.75h; Inert atmosphere; |
ethylmagnesium bromide
A
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Stage #1: (S)-2-(Benzyloxy)-N-(Formylamino)-Propanimine With N,N-bis(trimethylsilyl)acetamide In diethyl ether at 20℃; for 0.75h; Stage #2: ethylmagnesium bromide In diethyl ether at 20℃; Grignard addition; | A 62.3% B n/a |
(S)-2-(benzyloxy)propanal
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: 80 percent / methanol 2.1: bis(trimethylsilyl) acetamide / diethyl ether / 0.75 h / 20 °C 2.2: 62.3 percent / diethyl ether / 20 °C View Scheme | |
Multi-step reaction with 2 steps 1.1: toluene; methanol / 4 h / 0 - 30 °C 2.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 2.2: 0 - 30 °C / Inert atmosphere View Scheme |
(S)-2-(benzyloxy)-1-(pyrrolidin-1-yl)propan-1-one
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: 94 percent / Red-Al / toluene / 5 h 2.1: 80 percent / methanol 3.1: bis(trimethylsilyl) acetamide / diethyl ether / 0.75 h / 20 °C 3.2: 62.3 percent / diethyl ether / 20 °C View Scheme | |
Multi-step reaction with 5 steps 1.1: magnesium / tetrahydrofuran / 1 h / 60 - 65 °C / Inert atmosphere; Large scale 1.2: 1 h / 0 - 5 °C / Inert atmosphere; Large scale 2.1: sodium tetrahydroborate; lithium bromide; zinc dibromide / tetrahydrofuran / 0 - 5 °C / Inert atmosphere; Large scale 3.1: dmap / dichloromethane / 0.17 h / 0 - 20 °C / Large scale 3.2: 13 h / 30 - 35 °C / Large scale 4.1: hydrazine hydrate / ethanol / 13 h / 25 - 70 °C / Large scale 4.2: 1 h / 20 °C / Large scale 5.1: methanol / 4 h / 50 - 55 °C / Large scale View Scheme |
methyl (S)-2-(benzyloxy)propanoate
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: diisobutylaluminium hydride / toluene / 3 h / -75 - -70 °C / Inert atmosphere 1.2: Inert atmosphere 2.1: toluene; methanol / 4 h / 0 - 30 °C 3.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 3.2: 0 - 30 °C / Inert atmosphere View Scheme |
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / 0 - 10 °C 2.1: diisobutylaluminium hydride / toluene / 3 h / -75 - -70 °C / Inert atmosphere 2.2: Inert atmosphere 3.1: toluene; methanol / 4 h / 0 - 30 °C 4.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 4.2: 0 - 30 °C / Inert atmosphere View Scheme |
2-benzyloxypropionic acid methyl ester
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: water; sodium hydroxide / 5 h / 0 - 30 °C 2.1: toluene / 6 h / 25 - 30 °C 3.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / 0 - 10 °C 4.1: diisobutylaluminium hydride / toluene / 3 h / -75 - -70 °C / Inert atmosphere 4.2: Inert atmosphere 5.1: toluene; methanol / 4 h / 0 - 30 °C 6.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 6.2: 0 - 30 °C / Inert atmosphere View Scheme |
benzyl chloride
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: potassium tert-butylate / N,N-dimethyl-formamide / 5 h / -20 - -10 °C 2.1: water; sodium hydroxide / 5 h / 0 - 30 °C 3.1: toluene / 6 h / 25 - 30 °C 4.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / 0 - 10 °C 5.1: diisobutylaluminium hydride / toluene / 3 h / -75 - -70 °C / Inert atmosphere 5.2: Inert atmosphere 6.1: toluene; methanol / 4 h / 0 - 30 °C 7.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 7.2: 0 - 30 °C / Inert atmosphere View Scheme |
2-(benzyloxy)propanoic acid
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: toluene / 6 h / 25 - 30 °C 2.1: thionyl chloride / N,N-dimethyl-formamide / 2 h / 0 - 10 °C 3.1: diisobutylaluminium hydride / toluene / 3 h / -75 - -70 °C / Inert atmosphere 3.2: Inert atmosphere 4.1: toluene; methanol / 4 h / 0 - 30 °C 5.1: magnesium; iodine / tert-butyl methyl ether / 2 h / 40 - 55 °C / Inert atmosphere 5.2: 0 - 30 °C / Inert atmosphere View Scheme |
N’-[(1S,2S)-2-(benzyloxy)-1-ethylpropyl]formic hydrazide
Conditions | Yield |
---|---|
With sodium tetrahydroborate In isopropyl alcohol at 0 - 15℃; for 3h; | 9.1 g |
What can I do for you?
Get Best Price
The 2-[(1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl]hydrazinecarboxaldehyde, with the CAS registry number 170985-85-0, has the systematic name of N'-[(2S,3S)-2-(benzyloxy)pentan-3-yl]formic hydrazide. And the molecular formula of the chemical is C13H20N2O2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 55; (6)ACD/BCF (pH 7.4): 55; (7)ACD/KOC (pH 5.5): 613; (8)ACD/KOC (pH 7.4): 614; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 50.36 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 68.006 cm3; (15)Molar Volume: 226.851 cm3; (16)Polarizability: 26.96×10-24cm3; (17)Surface Tension: 37.676 dyne/cm; (18)Density: 1.042 g/cm3; (19)Flash Point: 158.538 °C; (20)Enthalpy of Vaporization: 58.189 kJ/mol; (21)Boiling Point: 338.531 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=CNN[C@H]([C@@H](OCc1ccccc1)C)CC
(2)InChI: InChI=1/C13H20N2O2/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16)/t11-,13-/m0/s1
(3)InChIKey: LNEGZKZTVLXZFX-AAEUAGOBBS