N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid

Base Information

• Chemical Name: N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid
• CAS No.: 87667-33-2
• Molecular Formula: C18H20N4O6S
• Molecular Weight: 420.446
• DSSTox Substance ID: DTXSID80555048
• Nikkaji Number: J2.897.315B
• Mol file: 87667-33-2.mol

Synonyms:dabsyl-aspartic acid;87667-33-2;DTXSID80555048;N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid

Chemical Property of N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 420.11035554
• Heavy Atom Count: 29
• Complexity: 690

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O

Technology Process of N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid

There total 3 articles about N-(4-{(E)-[4-(Dimethylamino)phenyl]diazenyl}benzene-1-sulfonyl)-L-aspartic acid 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:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + dabsyl chloride (56512-49-3) → dabsyl aspartate (87667-33-2)

Guidance literature:

With sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃;

DOI:10.3390/molecules25092250

Reference yield:

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + (E)-4-((4-(dimethylamino)phenyl)diazenyl)benzene-1-sulfonyl chloride → dabsyl aspartate (87667-33-2)

Guidance literature:

With sodium hydrogencarbonate; In acetone; for 2h; Heating;

DOI:10.1021/j150644a004

Reference yield:

→ (S)-2-[4-(4-Dimethylamino-phenylazo)-benzenesulfonylamino]-succinic acid (87667-33-2)

Guidance literature:

aus Dabsylchlorid, Asparagin;

DOI:10.1021/ac60359a007

upstream raw materials:

L-Aspartic acid

dabsyl chloride