N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)

Base Information

Chemical Name:N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)
CAS No.:117015-71-1
Molecular Formula:C₁₈H₁₉N₅O₂*2ClH
Molecular Weight:410.303
Hs Code.:
DSSTox Substance ID:DTXSID50922243

N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)

Synonyms:DTXSID50922243;N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:g/cm³
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:409.1072303
Heavy Atom Count:27
Complexity:626

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CC1=CC=CC=C1)N2C=C(ON2)NC(=O)N=C3C=CC(=N)C=C3.Cl.Cl

Technology Process of N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2)

There total 3 articles about N-(4-Iminocyclohexa-2,5-dien-1-ylidene)-N'-[3-(1-phenylpropan-2-yl)-2,3-dihydro-1,2,3-oxadiazol-5-yl]carbamimidic acid--hydrogen chloride (1/2) 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: 35.0%

: 117015-68-6
N₆-(4-Nitrophenylcarbamoyl)-3-phenylisopropylsydnone imine

: 117015-71-1
N₆-(4-Aminophenylcarbamoyl)-3-phenylisopropylsydnone imine dihydrochloride

Guidance literature:: With hydrogenchloride; iron; ammonium chloride; In ethanol; for 5h; Heating;
DOI:10.1007/BF01151177

Reference yield:

: 10242-52-1,78467-89-7
<(α-methylphenethyl)nitrosoamino>acetonitrile

: 117015-71-1
N₆-(4-Aminophenylcarbamoyl)-3-phenylisopropylsydnone imine dihydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 42.5 percent / (C₂H₅)3N / benzene / 3 h / 50 °C

2: 35 percent / Fe, NH₄Cl, conc. HCl / aq. ethanol / 5 h / Heating

With hydrogenchloride; iron; ammonium chloride; triethylamine; In ethanol; benzene;
DOI:10.1007/BF01151177

Reference yield:

: 100-28-7
4-Nitrophenyl isocyanate

: 117015-71-1
N₆-(4-Aminophenylcarbamoyl)-3-phenylisopropylsydnone imine dihydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: 42.5 percent / (C₂H₅)3N / benzene / 3 h / 50 °C

2: 35 percent / Fe, NH₄Cl, conc. HCl / aq. ethanol / 5 h / Heating

With hydrogenchloride; iron; ammonium chloride; triethylamine; In ethanol; benzene;
DOI:10.1007/BF01151177