[2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride

Base Information

• Chemical Name: [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride
• CAS No.: 121347-31-7
• Molecular Formula: C11H13 N O4
• Molecular Weight: 223.229
• European Community (EC) Number: 300-605-2
• DSSTox Substance ID: DTXSID70425988
• Mol file: 121347-31-7.mol

Synonyms:121347-31-7;1-(2,5-Dimethoxyphenyl)-2-hydroxyiminopropan-1-one;[2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride;DTXSID70425988;1-(2,5-Dimethoxyphenyl)-2-(hydroxyimino)propan-1-one

Chemical Property of [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride

Chemical Property:

• Melting Point: 97-98 °C
• Boiling Point: 397.8±42.0 °C(Predicted)
• PKA: 9.40±0.10(Predicted)
• PSA: 68.12000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 1.73660
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 223.08445790
• Heavy Atom Count: 16
• Complexity: 277

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=NO)C(=O)C1=C(C=CC(=C1)OC)OC

Technology Process of [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride

There total 2 articles about [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride 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: 86.14%

2',5'-dimethoxypropiophenone (5803-30-5) → 1-(2,5-dimethoxyphenyl)-2-hydroxyimino-1-acetone (121347-31-7)

Guidance literature:

With hydrogenchloride; n-Butyl nitrite; In diethyl ether; at 20 ℃; Reagent/catalyst; Cooling with ice;

Reference yield:

methyl nitrite (624-91-9) → 1-(2,5-dimethoxyphenyl)-2-hydroxyimino-1-acetone (121347-31-7)

Guidance literature:

With hydrogenchloride; diethyl ether; substance of mp: 98 degree;

DOI:10.1021/ja01858a047

Reference yield: 86.83%

1-(2,5-dimethoxyphenyl)-2-hydroxyimino-1-acetone (121347-31-7) → 2,5-dimethoxy-α-aminopropiophenone hydrochloride (103565-48-6)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; Reagent/catalyst;

upstream raw materials:

methyl nitrite

2',5'-dimethoxypropiophenone

Downstream raw materials:

2,5-dimethoxy-α-aminopropiophenone hydrochloride

Refernces

• 1、 -. "A salt structure the armor oxygen is bright erythro method for the preparation of acid". Paragraph 0038; 0039; 0040. . Retrieved 2017/03/28.