Methyl 2,2-diethoxyacetimidate

Base Information

• Chemical Name: Methyl 2,2-diethoxyacetimidate
• CAS No.: 76742-48-8
• Molecular Formula: C7H15NO3
• Molecular Weight: 161.201
• European Community (EC) Number: 831-116-7
• DSSTox Substance ID: DTXSID80591421
• Nikkaji Number: J3.173.467C
• Wikidata: Q82485181
• Mol file: 76742-48-8.mol

Synonyms:methyl 2,2-diethoxyacetimidate;76742-48-8;methyl 2,2-diethoxyethanimidate;2,2-diethoxy-ethanimidic acid methyl ester;methyl2,2-diethoxyacetimidate;MFCD12031316;methyl diethoxyacetimidate;SCHEMBL557722;methyl 2,2-diethoxyethanimidoate;DTXSID80591421;YKOUABZEDZDJEY-UHFFFAOYSA-N;BDA74248;CS-D0563;AC6777;AKOS015918773;AS-65359;SY036035;2,2-diethoxy-acetimidic acid methyl ester;DB-032223;METHYL 2,2-DIETHOXYETHANECARBOXIMIDATE;EN300-105815;A838811;Methyl 2,2-diethoxyacetimidate

Chemical Property of Methyl 2,2-diethoxyacetimidate

Chemical Property:

• Boiling Point: 159 °C at 760 mmHg
• PKA: 6.78±0.70(Predicted)
• Flash Point: 50 °C
• PSA: 51.54000
• Density: 1.01 g/cm³
• LogP: 1.10890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 161.10519334
• Heavy Atom Count: 11
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

Methyl2,2-diethoxyacetimidate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(=N)OC)OCC

Technology Process of Methyl 2,2-diethoxyacetimidate

There total 4 articles about Methyl 2,2-diethoxyacetimidate 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: 99.0%

2,2-diethoxyacetonitrile (6136-93-2) + sodium methylate (124-41-4) → 2,2-diethoxy-ethanimidic acid methyl ester (76742-48-8)

Guidance literature:

2,2-diethoxyacetonitrile; sodium methylate; In methanol; at 20 ℃; for 4h;

With carbon dioxide;

DOI:10.1246/cl.140238

Reference yield: 99.0%

methanol (67-56-1) + 2,2-diethoxyacetonitrile (6136-93-2) → 2,2-diethoxy-ethanimidic acid methyl ester (76742-48-8)

Guidance literature:

With sodium; at 20 ℃; for 4h; Inert atmosphere;

Reference yield: 92.0%

2,2-diethoxyacetonitrile (6136-93-2) → 2,2-diethoxy-ethanimidic acid methyl ester (76742-48-8)

Guidance literature:

With carbon dioxide; sodium methylate; In methanol; diethyl ether;

upstream raw materials:

methanol

2,2-diethoxyacetonitrile

sodium methylate

Downstream raw materials:

N-(4-bromo-benzyl)-2,2-diethoxy-acetamidine

N-(3-bromo-benzyl)-2,2-diethoxy-acetamidine

2-(diethoxymethyl)-5,6-difluoro-1H-benzimidazole

2-(diethoxymethyl)-5-phenylquinozoline-4(3H)one