N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine

Base Information

• Chemical Name: N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine
• CAS No.: 72170-88-8
• Molecular Formula: C13H24N2O
• Molecular Weight: 224.346
• DSSTox Substance ID: DTXSID60557489
• Mol file: 72170-88-8.mol

Synonyms:72170-88-8;N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine;DTXSID60557489

Chemical Property of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 224.188863393
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1CCCN1N=C2CCCCCC2
• Isomeric SMILES: COC[C@@H]1CCCN1N=C2CCCCCC2

Technology Process of N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine

There total 1 articles about N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cycloheptanimine 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: 88.0%

(S)-1-amino-2-(methoxymethyl)pyrrolidine (59983-39-0,187035-29-6) + cycloheptanone (502-42-1) → Cycloheptanone SAMP-hydrazone (72170-88-8)

Guidance literature:

at 60 ℃;

DOI:10.1021/ja9709132

Reference yield: 93.0%

Cycloheptanone SAMP-hydrazone (72170-88-8) → cycloheptanone (502-42-1)

Guidance literature:

With selenium(IV) oxide; dihydrogen peroxide; In methanol; water; at 20 ℃; pH=7; aq. phosphate buffer;

DOI:10.1055/S-0029-1218352

Reference yield: 68.0%

SAMP-hydrazone (72170-88-8) + ethyl iodide (75-03-6) → (R)-2-Ethylcycloheptanone (3183-41-3,120586-05-2)

Guidance literature:

With ozone; In dichloromethane; for 0.166667h;

DOI:10.1016/S0040-4039(00)80490-6

upstream raw materials:

(S)-1-amino-2-(methoxymethyl)pyrrolidine

cycloheptanone

Downstream raw materials:

(R)-2-Ethylcycloheptanone

cycloheptanone

Refernces

• 1、 Burton, Jonathan W.,Clark, J. Stephen,Derrer, Sam,Stork, Thomas C.,Bendall, Justin G.,Holmes, Andrew B.. "Synthesis of medium ring ethers. 5. The synthesis of (±)-laurencin". . p. 7483 - 7498. Retrieved 2007/10/03.