1-(Dimethoxymethyl)pyrrolidine

Base Information

• Chemical Name: 1-(Dimethoxymethyl)pyrrolidine
• CAS No.: 5564-73-8
• Molecular Formula: C7H15NO2
• Molecular Weight: 145.202
• Hs Code.: 2933990090
• European Community (EC) Number: 829-715-3
• DSSTox Substance ID: DTXSID70520164
• Nikkaji Number: J1.655.169D
• Wikidata: Q82383878
• Mol file: 5564-73-8.mol

Synonyms:1-(DIMETHOXYMETHYL)PYRROLIDINE;5564-73-8;SCHEMBL1276850;DTXSID70520164;AKOS006275097;G47180;EN300-6494555;A870143;1-dimethoxymethyl-pyrrolidine;N-formylpyrrolidine dimethylacetal

Chemical Property of 1-(Dimethoxymethyl)pyrrolidine

Chemical Property:

• Boiling Point: 67-69 °C(Press: 26 Torr)
• PKA: 6.38±0.20(Predicted)
• PSA: 21.70000
• Density: 1.004±0.06 g/cm3(Predicted)
• LogP: 0.59650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 145.110278721
• Heavy Atom Count: 10
• Complexity: 87.6

Purity/Quality:

97% ^*data from raw suppliers

1-(Dimethoxymethyl)pyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(N1CCCC1)OC

Technology Process of 1-(Dimethoxymethyl)pyrrolidine

There total 3 articles about 1-(Dimethoxymethyl)pyrrolidine 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: 56.0%

pyrrolidine (123-75-1) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → 1-(dimethoxymethyl)pyrrolidine (5564-73-8)

Guidance literature:

at 190 ℃; for 2h;

DOI:10.1007/BF00957867

Reference yield:

1-pyrrolidinecarboxaldehyde (3760-54-1) + dimethyl sulfate (77-78-1) → 1-(dimethoxymethyl)pyrrolidine (5564-73-8)

Guidance literature:

1-pyrrolidinecarboxaldehyde; dimethyl sulfate; at 50 - 80 ℃; for 3h; Inert atmosphere;

With sodium methylate; In methanol; at -5 - 5 ℃; for 4.5h; Inert atmosphere;

DOI:10.1021/jo1007898

Reference yield:

1-pyrrolidinecarboxaldehyde (3760-54-1) + sodium methylate (124-41-4) + dimethyl sulfate (77-78-1) → 1-(dimethoxymethyl)pyrrolidine (5564-73-8)

Guidance literature:

Yield given. Multistep reaction; 2.) methanol, RT, overnight;

DOI:10.1080/07328319308016202

upstream raw materials:

pyrrolidine

N,N-dimethyl-formamide dimethyl acetal

1-pyrrolidinecarboxaldehyde

sodium methylate

Downstream raw materials:

methoxy-pyrrolidin-1-yl-acetonitrile

2-((E)-1-Phenyl-3-pyrrolidin-1-yl-allylidene)-malononitrile

[5-(4-Nitro-phenyl)-thiazol-2-yl]-[1-pyrrolidin-1-yl-meth-(E)-ylidene]-amine

(E)-2-Phenyl-3-pyrrolidin-1-yl-N-[1-pyrrolidin-1-yl-meth-(E)-ylidene]-thioacrylamide