(Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate

Base Information

• Chemical Name: (Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate
• CAS No.: 76504-49-9
• Molecular Formula: C12H12 N2 O2
• Molecular Weight: 217.2433
• DSSTox Substance ID: DTXSID50421807
• NSC Number: 373512
• Mol file: 76504-49-9.mol

Synonyms:76504-49-9;DTXSID50421807;(Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate;NSC373512;NSC-373512

Chemical Property of (Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 352

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(O1)(C2=CC=CC=C2)C(=O)C=[N+]=[N-])C

Technology Process of (Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate

There total 3 articles about (Z)-2-Diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethen-1-olate 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:

Sodium; 3,3-dimethyl-2-phenyl-oxirane-2-carboxylate (24568-18-1) → 2-Diazo-1-(3,3-dimethyl-2-phenyl-oxiranyl)-ethanone (76504-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 4N HCl; 2.) Et₃N / 1.) 0 deg C, water; 2.) ether

2: diethyl ether / 1.) -20 deg C; 2.) r.t., 2 d

With hydrogenchloride; triethylamine; In diethyl ether;

DOI:10.1016/0040-4020(80)80105-0

Reference yield:

Potassium; 3,3-dimethyl-2-phenyl-oxirane-2-carboxylate → 2-Diazo-1-(3,3-dimethyl-2-phenyl-oxiranyl)-ethanone (76504-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) 4N HCl; 2.) Et₃N / 1.) 0 deg C, water; 2.) ether

2: diethyl ether / 1.) -20 deg C; 2.) r.t., 2 d

With hydrogenchloride; triethylamine; In diethyl ether;

DOI:10.1016/0040-4020(80)80105-0

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + C14H16O5 → 2-Diazo-1-(3,3-dimethyl-2-phenyl-oxiranyl)-ethanone (76504-49-9)

Guidance literature:

In diethyl ether; Yield given; 1.) -20 deg C; 2.) r.t., 2 d;

DOI:10.1016/0040-4020(80)80105-0

upstream raw materials:

diazomethane

Sodium; 3,3-dimethyl-2-phenyl-oxirane-2-carboxylate

Downstream raw materials:

2-(1',1'-dimethyl-1'-chloro)-methyl-2-phenyl-oxetan-3-one