Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-

Base Information

Chemical Name:Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-
CAS No.:76727-00-9
Molecular Formula:C₂₄H₃₃Cl₂N₃O₄
Molecular Weight:498.45
Hs Code.:
DSSTox Substance ID:DTXSID70998041

Synonyms:76727-00-9;Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-;C24H33Cl2N3O4;DTXSID70998041;C24-H33-Cl2-N3-O4;LS-30999;3-{4-[Bis(2-chloroethyl)amino]phenyl}-2-cyano-N-[3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecan-3-yl]propanimidic acid

Suppliers and Price of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-

Supply Marketing:

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

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Chemical Property of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-

Chemical Property:

Vapor Pressure:9.8E-23mmHg at 25°C
Boiling Point:735.9°Cat760mmHg
Flash Point:398.8°C
Density:1.29g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:497.1848119
Heavy Atom Count:33
Complexity:656

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2(CC1)OCC(CO2)(CO)NC(=O)C(CC3=CC=C(C=C3)N(CCCl)CCCl)C#N

Technology Process of Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)-

There total 2 articles about Benzenepropanamide, 4-(bis(2-chloroethyl)amino)-alpha-cyano-N-(3-(hydroxymethyl)-1,5-dioxaspiro(5,5)undec-3-yl)- 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:

: 22715-01-1
(2-Hydroxymethyl-1,3-dihydroxy-2-propyl)amide of cyanoacetic acid

: 76727-00-9
(2-Hydroxymethyl-2,2-pentamethylene-1,3-dioxan-5-yl)amide of 3-<4-di(2-chloroethyl)aminophenyl>-2-cyanopropanoic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 67.5 percent / piperidine / dioxane / Heating

2: 63.7 percent / NaBH₄ / tetrahydrofuran / 2 h / Ambient temperature

3: 52 percent / p-toluenesulfonic acid / benzene / Heating

With sodium tetrahydroborate; toluene-4-sulfonic acid; piperidine; In tetrahydrofuran; 1,4-dioxane; benzene;
DOI:10.1007/BF00758456

Reference yield:

: 77898-37-4
(2-Hydroxymethyl-1,3-dihydroxy-2-propyl)amide of 3-<4-di(2-chloroethyl)aminophenyl>-2-cyano-2-propenoic acid

: 76727-00-9
(2-Hydroxymethyl-2,2-pentamethylene-1,3-dioxan-5-yl)amide of 3-<4-di(2-chloroethyl)aminophenyl>-2-cyanopropanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 63.7 percent / NaBH₄ / tetrahydrofuran / 2 h / Ambient temperature

2: 52 percent / p-toluenesulfonic acid / benzene / Heating

With sodium tetrahydroborate; toluene-4-sulfonic acid; In tetrahydrofuran; benzene;
DOI:10.1007/BF00758456