2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;N-methylmethanamine

Base Information

• Chemical Name: 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;N-methylmethanamine
• CAS No.: 101018-64-8
• Molecular Formula: C₂H₇N*C₁₆H₁₆Cl₂N₂O₃S₂
• Molecular Weight: 464.437

Synonyms:101018-64-8;C16H16Cl2N2O3S2.C2H7N;LS-151057;C16-H16-Cl2-N2-O3-S2.C2-H7-N

Chemical Property of 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;N-methylmethanamine

Chemical Property:

• Vapor Pressure: 3.25E-16mmHg at 25°C
• Boiling Point: 619.6°Cat760mmHg
• Flash Point: 328.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 463.0557893
• Heavy Atom Count: 28
• Complexity: 548

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC.C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)N(CCCl)CCCl
• Isomeric SMILES: CNC.C1=CC(=CC=C1/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)N(CCCl)CCCl

Technology Process of 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;N-methylmethanamine

There total 3 articles about 2-[(5E)-5-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid;N-methylmethanamine 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: 81.0%

3-(Carboxymethyl)-5-rhodanine (101004-60-8) + dimethyl amine (124-40-3) → {5-[1-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; compound with dimethyl-amine (101018-64-8)

Guidance literature:

In ethanol;

DOI:10.1007/BF00767826

Reference yield:

rhodanine 3-acetic acid (5718-83-2) → {5-[1-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; compound with dimethyl-amine (101018-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / piperidine / ethanol / 6 h / Heating

2: 81 percent / ethanol

With piperidine; In ethanol;

DOI:10.1007/BF00767826

Reference yield:

4-(bis(2-chloroethyl)amino)benzaldehyde (1208-03-3) → {5-[1-{4-[Bis-(2-chloro-ethyl)-amino]-phenyl}-meth-(Z)-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl}-acetic acid; compound with dimethyl-amine (101018-64-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / piperidine / ethanol / 6 h / Heating

2: 81 percent / ethanol

With piperidine; In ethanol;

DOI:10.1007/BF00767826

upstream raw materials:

3-(Carboxymethyl)-5-rhodanine

dimethyl amine

rhodanine 3-acetic acid

4-(bis(2-chloroethyl)amino)benzaldehyde

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