Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate

Base Information

• Chemical Name: Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
• CAS No.: 105-71-5
• Molecular Formula: C9H17 N O4
• Molecular Weight: 203.238
• Hs Code.: 2922499990
• European Community (EC) Number: 203-324-2
• DSSTox Substance ID: DTXSID801019004
• Nikkaji Number: J182.199G
• ChEMBL ID: CHEMBL1621550
• Mol file: 105-71-5.mol

Synonyms:105-71-5;Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate;methyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoate;methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;SCHEMBL5788270;CHEMBL1621550;CH3N(CH2CH2CO2CH3)2;DTXSID801019004;EINECS 203-324-2;STL371259;di-(b-methoxycarbonylethyl)methylamine;AKOS001639741;AS-77787;BB 0266646;CS-0151254;FT-0624577;D94898;EN300-187036;3,3'-(Methylimino)bis(propionic acid methyl) ester;Dimethyl 3,3'-(methylazanediyl)dipropanoate, AldrichCPR;Z905243088;dimethyl 3,3'-(methylimino)dipropanoate (non-preferred name)

Chemical Property of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate

Chemical Property:

• Boiling Point: 255.9°Cat760mmHg
• Flash Point: 108.5°C
• PSA: 55.84000
• Density: 1.062g/cm³
• LogP: 0.04440
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 203.11575802
• Heavy Atom Count: 14
• Complexity: 173

Purity/Quality:

98%,99%, ^*data from raw suppliers

MethylN-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(CCC(=O)OC)CCC(=O)OC

Technology Process of Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate

There total 6 articles about Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate 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: 98.0%

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + methylamine (74-89-5) → 3-methyl[(3-methoxy-3-oxopropyl)methylamino]propanoate (105-71-5)

Guidance literature:

In methanol; at 60 ℃; Sealed tube;

Reference yield: 68.4%

methylamine hydrochloride (593-51-1) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 3-methyl[(3-methoxy-3-oxopropyl)methylamino]propanoate (105-71-5)

Guidance literature:

With sodium acetate; In water; 1.) r.t., 1 h, 2.) 80-85 deg C, 1 h;

DOI:10.1007/BF00765221

Reference yield:

acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) + methylamine (74-89-5) → methyl 3-(methylamino)propanoate (24549-12-0) + 3-methyl[(3-methoxy-3-oxopropyl)methylamino]propanoate (105-71-5)

Guidance literature:

With methanol;

DOI:10.1021/jo01180a003 DOI:10.1021/ja01170a027

upstream raw materials:

Methyl 3-bromopropionate

methylamine hydrochloride

Bis(2-cyanoethyl)methylamine

acrylic acid methyl ester

Downstream raw materials:

3,3'-Dimesyloxy-N-methyl-dipropylamin

N,N-dimethyl-4-oxopiperidinium iodide

1-Methyl-4-piperidone

3-[(3-hydroxy-3,3-diphenyl-propyl)-methyl-amino]-1,1-diphenyl-propan-1-ol

Refernces

• 1、 Glowacki, Britta,Pallach, Roman,Lutter, Michael,Roesler, Fabian,Alnasr, Hazem,Thomas, Cedreric,Schollmeyer, Dieter,Jurkschat, Klaus. "Cis versus Trans: The Coordination Environment about the Tin(IV) Atom in Spirocyclic Amino Alcohol Derivatives". . p. 19266 - 19279. Retrieved 2018.
• 2、 -. "AMINOALYL-IMIDAZOTETRAZINES FOR TREATMENT OF CANCER". Page/Page column 38-39. . Retrieved 2009/12/02.