2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-

Base Information

Chemical Name:2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-
CAS No.:77898-37-4
Molecular Formula:C₁₈H₂₃Cl₂N₃O₄
Molecular Weight:416.304
Hs Code.:
Wikidata:Q76388064

Synonyms:Trihydroxy-tert-butylamide of dichloroethyl-aminobenzylidenecyanoacetic acid;2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-;77898-37-4;C18H23Cl2N3O4;C18-H23-Cl2-N3-O4;LS-123247

Suppliers and Price of 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-

Chemical Property:

Vapor Pressure:1.01E-25mmHg at 25°C
Boiling Point:781.6°Cat760mmHg
Flash Point:426.5°C
Density:1.395g/cm³
XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:415.1065616
Heavy Atom Count:27
Complexity:524

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C=C(C#N)C(=O)NC(CO)(CO)CO)N(CCCl)CCCl
Isomeric SMILES:C1=CC(=CC=C1/C=C(\C#N)/C(=O)NC(CO)(CO)CO)N(CCCl)CCCl

Technology Process of 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-

There total 1 articles about 2-Propenamide, 3-(4-(bis(2-chloroethyl)amino)phenyl)-2-cyano-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)- 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: 67.5%

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

: 1208-03-3
4-(bis(2-chloroethyl)amino)benzaldehyde

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

Guidance literature:: piperidine; In 1,4-dioxane; Heating;
DOI:10.1007/BF00758456

Reference yield: 63.7%

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

: 76727-01-0
(2-Hydroxymethyl-1,3-dihydroxy-2-propyl)amide of 3-<4-di(2-chloroethyl)aminophenyl>-2-cyanopropanoic acid

Guidance literature:: With sodium tetrahydroborate; In tetrahydrofuran; for 2h; Ambient temperature;
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