N-benzyl-1,4-dioxaspiro[4.5]decan-8-amine

Base Information

• Chemical Name: N-benzyl-1,4-dioxaspiro[4.5]decan-8-amine
• CAS No.: 131511-13-2
• Molecular Formula: C15H21 N O2
• Molecular Weight: 247.337
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID60472921
• Wikidata: Q82302112
• Mol file: 131511-13-2.mol

Synonyms:131511-13-2;N-benzyl-1,4-dioxaspiro[4.5]decan-8-amine;N-Benzyl-4-aminocyclohexanone ethylene ketal;1,4-Dioxaspiro[4.5]decan-8-amine,N-(phenylmethyl)-;N-Benzyl-(1,4-dioxa-spiro[4.5]dec-8-yl)-amine;MFCD09037841;SCHEMBL803482;DTXSID60472921;JQECYFYCFOSKFU-UHFFFAOYSA-N;4-AMINOAZOBENZENEHYDROCHLORIDE;AB2640;AKOS000225986;CS-0270024;n-benzyl-4-aminocyclohexanoneethyl ene ketal;benzyl-(1,4-dioxa-spiro[4.5]dec-8-yl)-amine;N-(phenylmethyl)-1,4-Dioxaspiro[4.5]decan-8-amine;Z334885912

Chemical Property of N-benzyl-1,4-dioxaspiro[4.5]decan-8-amine

Chemical Property:

• Boiling Point: 374.7±42.0 °C(Predicted)
• PKA: 9.66±0.20(Predicted)
• PSA: 30.49000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 2.85280
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 247.157228913
• Heavy Atom Count: 18
• Complexity: 247

Purity/Quality:

98% ^*data from raw suppliers

N-Benzyl-(1,4-dioxa-spiro[4.5]dec-8-yl)-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC1NCC3=CC=CC=C3)OCCO2

Technology Process of N-benzyl-1,4-dioxaspiro[4.5]decan-8-amine

There total 8 articles about N-benzyl-1,4-dioxaspiro[4.5]decan-8-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: 100.0%

cyclohexanedione monoethylene ketal (4746-97-8) + benzylamine (100-46-9) → 4-(N-benzylamino)cyclohexanone ethylene acetal (131511-13-2)

Guidance literature:

cyclohexanedione monoethylene ketal; benzylamine; With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 20h;

With sodium hydroxide; In dichloromethane; water;

Reference yield:

N-(1,4-dioxaspiro[4.5]decyl-7-idene)benzylamine (230287-23-7) → 4-(N-benzylamino)cyclohexanone ethylene acetal (131511-13-2)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; at 25 ℃;

DOI:10.1016/0040-4039(95)00051-D

Reference yield:

cyclohexanedione monoethylene ketal (4746-97-8) → 4-(N-benzylamino)cyclohexanone ethylene acetal (131511-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1: montmorillonite K₁₀ clay / microwave irradiation

2: montmorillonite K₁₀ clay; sodium borohydride; water / 0.03 h / microwave irradiation

With sodium tetrahydroborate; Montmorillonite K₁₀ clay; water; 1: Condensation / 2: Reduction;

DOI:10.1016/S0040-4020(98)00326-3

upstream raw materials:

cyclohexanedione monoethylene ketal

benzylamine

N-(1,4-dioxaspiro[4.5]decyl-7-idene)benzylamine

benzylamine hydrochloride

Downstream raw materials:

N-(4-Acetoxycyclohex-3-enyl)-N-benzyl-2,2,2-trichloroacetamide

N-Benzyl-2,2,2-trichloro-N-<4-(trimethylsilyloxy)cyclohex-3-enyl>acetamide

N-benzyl-trans-4-aminocyclohexanol

C₂₄H₂₅NO₃S