(E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Base Information

• Chemical Name: (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride
• CAS No.: 100098-77-9
• Molecular Formula: C13H14 N2 O3 . Cl H
• Molecular Weight: 282.7228
• Mol file: 100098-77-9.mol

Synonyms:(E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride;(E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride;Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-;100098-77-9;C13H14N2O3.ClH;C13-H14-N2-O3.Cl-H;LS-100148

Chemical Property of (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Chemical Property:

• Vapor Pressure: 0.000173mmHg at 25°C
• Boiling Point: 340.1°C at 760 mmHg
• Flash Point: 159.5°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 282.0771200
• Heavy Atom Count: 19
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(COC(=N1)C=CC2=CC(=CC=C2)[N+](=O)[O-])C.Cl
• Isomeric SMILES: CC1(COC(=N1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C.Cl

Technology Process of (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

There total 3 articles about (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride 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: 68.0%

(E)-3-nitro-N-(2-hydroxy-1,1-dimethylethyl) cinnamamide (100098-62-2) → (E)-2-(3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride (100098-77-9)

Guidance literature:

With thionyl chloride; In toluene; Ambient temperature;

Reference yield:

(E)-3-Nitrocinnamic acid (555-68-0,1772-76-5) → (E)-2-(3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride (100098-77-9)

Guidance literature:

Multi-step reaction with 3 steps

1: SOCl₂ / benzene / 0.5 h / 45 - 50 °C

2: CH₂Cl₂ / 3 h / 0 °C

3: 68 percent / SOCl₂ / toluene / Ambient temperature

With thionyl chloride; In dichloromethane; toluene; benzene;

Reference yield:

(E)-3-nitrocinnamic acid chloride (35418-05-4,141236-48-8) → (E)-2-(3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride (100098-77-9)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 3 h / 0 °C

2: 68 percent / SOCl₂ / toluene / Ambient temperature

With thionyl chloride; In dichloromethane; toluene;

upstream raw materials:

(E)-3-nitro-N-(2-hydroxy-1,1-dimethylethyl) cinnamamide

(E)-3-Nitrocinnamic acid

(E)-3-nitrocinnamic acid chloride