3-Methoxy-3-imino propanoic acid ethyl ester hydrochloride

Base Information

• Chemical Name: 3-Methoxy-3-imino propanoic acid ethyl ester hydrochloride
• CAS No.: 61125-03-9
• Molecular Formula: C₆H₁₁NO₃*ClH
• Molecular Weight: 181.619
• DSSTox Substance ID: DTXSID20494583
• Mol file: 61125-03-9.mol

Synonyms:61125-03-9;SCHEMBL10467391;3-methoxy-3-imino propanoic acid ethyl ester hydrochloride;DTXSID20494583;HIRHZXIWOYOYIP-UHFFFAOYSA-N;Ethyl 3-imino-3-methoxypropanoate--hydrogen chloride (1/1)

Chemical Property of 3-Methoxy-3-imino propanoic acid ethyl ester hydrochloride

Chemical Property:

• Melting Point: 88-90 °C
• PSA: 59.38000
• LogP: 1.46500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 181.0505709
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

ethyl3-imino-3-methoxypropanoatehydrochloride >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(=N)OC.Cl

Technology Process of 3-Methoxy-3-imino propanoic acid ethyl ester hydrochloride

There total 1 articles about 3-Methoxy-3-imino propanoic acid ethyl ester 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:

methanol (67-56-1) + ethyl 2-cyanoacetate (105-56-6) → ethyl-3-imino-3-methoxy propionate hydrochloride (61125-03-9)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 0 - 20 ℃; for 20.75h; Inert atmosphere;

DOI:10.1021/jm400121t

Reference yield:

ethyl-3-imino-3-methoxy propionate hydrochloride (61125-03-9) + 2-methyl-3-methoxyaniline (19500-02-8) → C14H19NO4 (1428771-40-7)

Guidance literature:

In isopropyl alcohol; at 40 ℃; for 3.5h; Inert atmosphere;

DOI:10.1021/jm400121t

upstream raw materials:

methanol

ethyl 2-cyanoacetate

Downstream raw materials:

C₁₄H₁₉NO₄

Refernces