2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride

Base Information

• Chemical Name: 2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride
• CAS No.: 82760-90-5
• Molecular Formula: C11H14ClN3O3S
• Molecular Weight: 303.769
• Hs Code.: 2934999090
• European Community (EC) Number: 280-024-8
• DSSTox Substance ID: DTXSID901002874
• Mol file: 82760-90-5.mol

Synonyms:82760-90-5;2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride;EINECS 280-024-8;3-Thiazolidineethanol, 2-imino-alpha-(3-nitrophenyl)-, monohydrochloride;C11H13N3O3S.ClH;DTXSID901002874;C11-H13-N3-O3-S.Cl-H;2-(2-Imino-1,3-thiazolidin-3-yl)-1-(3-nitrophenyl)ethan-1-ol--hydrogen chloride (1/1)

Chemical Property of 2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride

Chemical Property:

• Boiling Point: 448oC at 760 mmHg
• Flash Point: 224.7oC
• PSA: 118.44000
• LogP: 2.97460
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 303.0444402
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=N)N1CC(C2=CC(=CC=C2)[N+](=O)[O-])O.Cl

Technology Process of 2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride

There total 2 articles about 2-Imino-alpha-(m-nitrophenyl)thiazolidin-3-ethanol monohydrochloride 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:

3-[2-Bromo-2-(3-nitro-phenyl)-ethyl]-oxazolidin-2-one (82191-10-4) → 1-hydroxy-2-(2-iminotetrahydro-1,3-thiazol-3-yl)-1-(3-nitrophenyl)-ethane hydrochloride (82760-90-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / aq. NaOH / 6 h / Heating; pH = 2 - 2.5

2: 1.) hydrogen chloride / 1.) toluene, 100 deg C, 28 h, 2.) water, reflux, 10 h

With hydrogenchloride; In sodium hydroxide;

DOI:10.1055/s-1982-29862

Reference yield:

3-[2-Hydroxy-2-(3-nitro-phenyl)-ethyl]-oxazolidin-2-one (82191-12-6) + thiourea (17356-08-0) → 1-hydroxy-2-(2-iminotetrahydro-1,3-thiazol-3-yl)-1-(3-nitrophenyl)-ethane hydrochloride (82760-90-5)

Guidance literature:

With hydrogenchloride; Yield given. Multistep reaction; 1.) toluene, 100 deg C, 28 h, 2.) water, reflux, 10 h;

DOI:10.1055/s-1982-29862

upstream raw materials:

3-[2-Hydroxy-2-(3-nitro-phenyl)-ethyl]-oxazolidin-2-one

thiourea

3-[2-Bromo-2-(3-nitro-phenyl)-ethyl]-oxazolidin-2-one