5-(alpha-Phenylethyl)semioxamazide

Base Information

• Chemical Name: 5-(alpha-Phenylethyl)semioxamazide
• CAS No.: 93-95-8
• Molecular Formula: C₁₀H₁₃N₃O₂
• Molecular Weight: 207.232
• Hs Code.: 2928000090
• NSC Number: 100178,96477,68640
• UNII: 718D5MXM9C
• DSSTox Substance ID: DTXSID50871580
• Nikkaji Number: J2.794.402G
• Wikidata: Q27149083
• Mol file: 93-95-8.mol

Synonyms:2-hydrazinyl-2-oxo-N-(1-phenylethyl)acetamide;93-95-8;5-(alpha-Phenylethyl)semioxamazide;NSC-68640;5-(alpha-Methylbenzyl)semioxamazide;UNII-718D5MXM9C;5-(.alpha.-Phenylethyl)semioxamazide;2-Hydrazino-2-oxo-N-(1-phenylethyl)acetamide;718D5MXM9C;(+/-)-5-(alpha-Phenylethyl)semioxamazide;5-(.alpha.-Methylbenzyl)semioxamazide;DL-5-(alpha-Phenylethyl)semioxamazide;5-(alpha-Phenylethyl)semioxamazide [MI];5-(alpha-Phenylethyl)semioxamazide, DL-;Acetic acid, 2-oxo-2-((1-phenylethyl)amino)-, hydrazide;5-(alpha-Phenylethyl)semioxamazide, (+/-)-;5-(alpha-Phenylethyl)semioxamazide DL-form [MI];Semioxamazide, 5-(.alpha.-methylbenzyl)-;Acetic acid, 2-oxo-2-[(1-phenylethyl)amino]-, hydrazide;l-5-(.alpha.-Phenylethyl)semioxamazide;Semioxamazide, (-)-;NCIOpen2_007305;5-(a-Phenylethyl)semioxamazide;SCHEMBL9868347;Acetic acid, hydrazide, (S)-;Acetic acid, hydrazide, (-)-;CHEBI:79919;DTXSID50871580;AMY13879;NSC68640;NSC96477;NSC100178;STK393697;AKOS000344063;AKOS021998473;FT-0652111;2-Hydrazino-2-oxo-N-(1-phenylethyl)acetamide #;DL-5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE;Oxo-[(1-phenylethyl)amino]acetic acid hydrazide;1-(hydrazinecarbonyl)-N-(1-phenylethyl)formamide;5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE [MI];5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE, DL-;A833278;AA-516/25012209;SR-01000082202;Acetic acid, oxo((1-phenylethyl)amino)-, hydrazide;SR-01000082202-1;(+/-)-5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE;Q27149083;2-diazanyl-2-oxidanylidene-N-(1-phenylethyl)ethanamide;5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE, (+/-)-;5-(.ALPHA.-PHENYLETHYL)SEMIOXAMAZIDE DL-FORM [MI]

Chemical Property of 5-(alpha-Phenylethyl)semioxamazide

Chemical Property:

• Melting Point: 157 °C
• PKA: 10.74±0.20(Predicted)
• PSA: 84.22000
• Density: 1.207 g/cm³
• LogP: 1.33580
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.100776666
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C(=O)NN

Technology Process of 5-(alpha-Phenylethyl)semioxamazide

There total 1 articles about 5-(alpha-Phenylethyl)semioxamazide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ (+/-)-(1-phenyl-ethyl)-oxalamic acid hydrazide (93-95-8)

Guidance literature:

With hydrazine hydrate;

DOI:10.1021/jo01147a007

Reference yield: 52.0%

(η(5)-C5H4COMe)(CO)2MoFeCo(μ3-S)(CO)6 + (-)-5-(α-phenyl)semioxamazide (93-95-8,6152-23-4,6152-25-6,6533-60-4) → FeCo(CO)6SMo(CO)2(C5H4C(CH3)NNHC(O)C(O)NHCH(CH3)C6H5)

Guidance literature:

With H₂SO₄; In ethanol; benzene; N2; to a soln. of cluster slowly added a soln. of hydrazine (benzene, H2SO4), stirred at room temp. for 12 h; chromy. (silica gel, CH2Cl2+hexane, CH2Cl2+ether+hexane (1:1:1)), solvent removed, recrystd. (CH2Cl2-hexane, -20°C); elem. anal.;

DOI:10.1016/S0277-5387(01)00778-1

Reference yield: 21.0%

2-phenyl-2,3-dihydro-1H-quinolin-4-one (16619-14-0) + (-)-5-(α-phenyl)semioxamazide (93-95-8,6152-23-4,6152-25-6,6533-60-4) → 2-Oxo-2-{N'-[(R)-2-phenyl-2,3-dihydro-1H-quinolin-(4E)-ylidene]-hydrazino}-N-(1-phenyl-ethyl)-acetamide (113544-25-5,113548-01-9) + 2-Oxo-2-{N'-[(S)-2-phenyl-2,3-dihydro-1H-quinolin-(4E)-ylidene]-hydrazino}-N-(1-phenyl-ethyl)-acetamide (113544-25-5,113548-01-9)

Guidance literature:

With iodide; In methanol; for 3.5h; Heating;

Downstream raw materials:

2-Oxo-2-{N'-[(R)-2-phenyl-2,3-dihydro-1H-quinolin-(4E)-ylidene]-hydrazino}-N-(1-phenyl-ethyl)-acetamide

2-Oxo-2-{N'-[(S)-2-phenyl-2,3-dihydro-1H-quinolin-(4E)-ylidene]-hydrazino}-N-(1-phenyl-ethyl)-acetamide