(3-Amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol

Base Information

• Chemical Name: (3-Amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol
• CAS No.: 5452-79-9
• Molecular Formula: C10H19NO3
• Molecular Weight: 201.2628
• NSC Number: 18990
• DSSTox Substance ID: DTXSID40280889
• Wikidata: Q82014553
• Mol file: 5452-79-9.mol

Synonyms:5452-79-9;(3-amino-1,5-dioxaspiro[5.5]undecan-3-yl)methanol;(3-amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol;NSC18990;SCHEMBL24071242;DTXSID40280889;NSC-18990;C93230

Chemical Property of (3-Amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol

Chemical Property:

• Vapor Pressure: 9.38E-06mmHg at 25°C
• Boiling Point: 333.9°C at 760 mmHg
• Flash Point: 155.7°C
• Density: 1.17g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 201.13649347
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)OCC(CO2)(CO)N

Technology Process of (3-Amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol

There total 2 articles about (3-Amino-1,5-dioxaspiro[5.5]undec-3-yl)methanol 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: 74.0%

cycloxexanone dimethyl ketal (933-40-4) + tris hydrochloride (1185-53-1) → 3-amino-3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecane (5452-79-9)

Guidance literature:

cycloxexanone dimethyl ketal; tris hydrochloride; With toluene-4-sulfonic acid; In N,N-dimethyl-formamide; at 21 - 23 ℃; for 18h; Inert atmosphere; Sealed tube;

With triethylamine; In ethyl acetate; for 12h;

DOI:10.15227/orgsyn.093.0210

Reference yield:

3-hydroxymethyl-3-nitro-1,5-dioxaspiro<5.5>undecane (51430-72-9) → 3-amino-3-(hydroxymethyl)-1,5-dioxaspiro[5.5]undecane (5452-79-9)

Guidance literature:

With ethanol; ethyl acetate; platinum; Hydrogenation;

DOI:10.1021/ja01641a011

upstream raw materials:

3-hydroxymethyl-3-nitro-1,5-dioxaspiro<5.5>undecane

cycloxexanone dimethyl ketal

tris hydrochloride

Refernces