5,5-Diethoxypentan-1-amine

Base Information

• Chemical Name: 5,5-Diethoxypentan-1-amine
• CAS No.: 21938-23-8
• Molecular Formula: C9H21NO2
• Molecular Weight: 175.271
• Hs Code.: 2922199090
• DSSTox Substance ID: DTXSID80519201
• Nikkaji Number: J863.589G
• Wikidata: Q72468996
• Mol file: 21938-23-8.mol

Synonyms:5,5-Diethoxypentan-1-amine;21938-23-8;5-Aminopentanal Diethyl Acetal;5,5-Diethoxy-1-pentanamine;5-Aminovaleraldehyde Diethyl Acetal;5, 5-diethoxypentan-1-amine;SCHEMBL3098432;DTXSID80519201;AMY15714;AKOS022172203;J-014364

Chemical Property of 5,5-Diethoxypentan-1-amine

Chemical Property:

• Boiling Point: 232℃
• PKA: 10.60±0.10(Predicted)
• Flash Point: 101℃
• PSA: 44.48000
• Density: 0.904
• LogP: 2.21480
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 175.157228913
• Heavy Atom Count: 12
• Complexity: 82.6

Purity/Quality:

97% ^*data from raw suppliers

5-AminopentanalDiethylAcetal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CCCCN)OCC
• Uses: 5-AMinopentanal Diethyl Acetal is used in the synthesis of (+/-)-Harmicine.

Technology Process of 5,5-Diethoxypentan-1-amine

There total 1 articles about 5,5-Diethoxypentan-1-amine 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:

4-chlorobutyraldehyde (6139-84-0) → 5-Aminopentanal Diethyl Acetal (21938-23-8)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0040-4039(00)88158-7

Reference yield: 100.0%

5-Aminopentanal Diethyl Acetal (21938-23-8) + 4-chlorophenacetyl chloride (25026-34-0) → C17H26ClNO3 (1312573-17-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1039/c0ob01149e

Reference yield: 87.0%

5-Aminopentanal Diethyl Acetal (21938-23-8) + benzyl cyanoformate (5532-86-5) → benzyl 5,5-diethoxypentylcarbamate (493009-88-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1002/1099-0690(200209)2002:18<3133::AID-EJOC3133>3.0.CO;2-H

upstream raw materials:

4-chlorobutyraldehyde

Downstream raw materials:

octahydro-2H-quinolizine-2-one

benzyl 5,5-diethoxypentylcarbamate

1-(2-allylpiperidin-1-yl)ethanone

2-allylpiperidine hydrochloride