2,5-Bis(methoxymethyl)pyrrolidin-1-ium

Base Information

• Chemical Name: 2,5-Bis(methoxymethyl)pyrrolidin-1-ium
• CAS No.: 90290-05-4
• Molecular Formula: C8H17 N O2
• Molecular Weight: 159.228
• Hs Code.: 29339980
• DSSTox Substance ID: DTXSID001009297
• Wikidata: Q83006063
• Mol file: 90290-05-4.mol

Synonyms:DTXSID001009297;2,5-Bis(methoxymethyl)pyrrolidin-1-ium

Chemical Property of 2,5-Bis(methoxymethyl)pyrrolidin-1-ium

Chemical Property:

• Vapor Pressure: 0.382mmHg at 25°C
• Refractive Index: 1.447-1.449
• Boiling Point: 197.3°Cat760mmHg
• Flash Point: 76.2°C
• PSA: 30.49000
• Density: 0.922g/cm³
• LogP: 0.72860
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.133753817
• Heavy Atom Count: 11
• Complexity: 96.3

Purity/Quality:

97% ^*data from raw suppliers

(2R,5R)-2,5-Bis(methoxymethyl)pyrrolidine 95+% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1CCC([NH2+]1)COC
• Isomeric SMILES: COC[C@H]1CC[C@@H]([NH2+]1)COC

Technology Process of 2,5-Bis(methoxymethyl)pyrrolidin-1-ium

There total 9 articles about 2,5-Bis(methoxymethyl)pyrrolidin-1-ium 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: 100.0%

(1'R,2R,5R)-2,5-bis(methoxymethyl)-1-(1-phenylethyl)-pyrrolidine → (2R,5R)-2,5-bis(methoxymethyl)pyrrolidine (90290-05-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 20 ℃;

Reference yield: 87.0%

(2S,5S)-1-<(S)-1-Phenylethyl>-2,5-bis(methoxymethyl)pyrrolidine (148773-69-7) → (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine (90290-05-4,93621-94-4,105016-60-2,144993-81-7)

Guidance literature:

With hydrogen; palladium dihydroxide; In methanol; under 2280 Torr;

DOI:10.1055/s-1993-25852

Reference yield: 87.0%

(2S,5S)-2,5-Bis-methoxymethyl-1-(toluene-4-sulfonyl)-pyrrolidine (145472-51-1) → (2S,5S)-2,5-bis(methoxymethyl)pyrrolidine (90290-05-4,93621-94-4,105016-60-2,144993-81-7)

Guidance literature:

With Na-naphthalide; In 1,2-dimethoxyethane; at -78 ℃; for 1h;

DOI:10.1016/S0040-4020(01)88321-6

upstream raw materials:

(2S,5S)-2,5-Bis-methoxymethyl-1-(toluene-4-sulfonyl)-pyrrolidine

(2S,5S)-1-<(S)-1-Phenylethyl>-2,5-bis(methoxymethyl)pyrrolidine

trans-N-benzyl-2,5-bis(ethoxycarbonyl)pyrrolidine

methyl iodide

Downstream raw materials:

1-[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone

1-((2R,5R)-2,5-Bis-methoxymethyl-pyrrolidin-1-yl)-3-phenyl-propan-1-one

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