8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid

Base Information

• Chemical Name: 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid
• CAS No.: 54621-18-0
• Molecular Formula: C9H15 N O4
• Molecular Weight: 201.222
• Hs Code.: 2932999099
• European Community (EC) Number: 686-994-2
• DSSTox Substance ID: DTXSID60426742
• Mol file: 54621-18-0.mol

Synonyms:8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid;54621-18-0;1-AMINO-4-OXOCYCLOHEXANECARBOXYLIC ACID ETHYLENE KETAL;MFCD03790906;8-Amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid;SCHEMBL1811193;DTXSID60426742;HIIFALCQUKTUHB-UHFFFAOYSA-N;BBL103784;STL557594;AKOS005254696;MS-20700;SY015760;A7928;CS-0163726;FT-0678224;EN300-312393;1-amino-4,4-ethylenedioxycyclohexane carboxylic acid;J-519358;8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylicacid;4-amino-4-(2-hydroxy-1,3-dioxolan-2-yl)cyclohexanone;1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal, 95%

Chemical Property of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid

Chemical Property:

• Vapor Pressure: 1.47E-06mmHg at 25°C
• Melting Point: 301-304°C
• Boiling Point: 372.1°C at 760 mmHg
• PKA: 2.36±0.20(Predicted)
• Flash Point: 178.8°C
• PSA: 81.78000
• Density: 1.32g/cm³
• LogP: 0.78590
• Storage Temp.: 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: -2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.10010796
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

8-Amino-1,4-dioxaspiro[4.5]decane-8-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-41
• Safety Statements: 22-24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2(CCC1(C(=O)O)N)OCCO2
• Uses: 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal is used in modification of polymer properties.

Technology Process of 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid

There total 7 articles about 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic Acid 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: 98.0%

8-azido-1,4-dioxaspiro[4,5]decane-8-carboxylic acid (851662-53-8) → 8-amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid (54621-18-0)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; for 13h;

DOI:10.1016/j.tet.2006.06.112

Reference yield: 48.0%

9,12-dioxa-2,4-diazadispiro[4.2.4Λ{8}.2Λ{5}]tetradecane-1,3-dione (54621-17-9) → 8-amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid (54621-18-0)

Guidance literature:

9,12-dioxa-2,4-diazadispiro[4.2.4^Λ{8}.2^Λ{5}]tetradecane-1,3-dione; With sodium hydroxide; for 96h; Inert atmosphere; Reflux;

With hydrogenchloride; In water; at 0 ℃; pH=6;

DOI:10.1021/jf3002069

Reference yield:

sodium 8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylate → 8-amino-1,4-dioxa-spiro[4.5]decane-8-carboxylic acid (54621-18-0)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; pH=5 - 6;

upstream raw materials:

8-azido-1,4-dioxaspiro[4,5]decane-8-carboxylic acid

ammonium carbonate

9,12-dioxa-2,4-diazadispiro[4.2.4^Λ{8}.2^Λ{5}]tetradecane-1,3-dione

cyclohexanedione monoethylene ketal

Downstream raw materials:

C₂₈H₃₁NO₄

C₂₆H₂₇NO₅

C₂₅H₂₄FNO₄

C₂₅H₂₄ClNO₄

Refernces

• 1、 Zhao, Jinhao,Zhang, Jiangong,Xu, Bingrong,Wang, Zongcheng,Cheng, Jingli,Zhu, Guonian. "Design, synthesis, and analysis of the quantitative structure-activity relationships of 4-phenyl-acyl-substituted 3-(2,5-dimethylphenyl)-4-hydroxy-1- azaspiro[4.5]dec-3-ene-2,8-dione derivatives". . p. 4779 - 4787. Retrieved 2012/08/07.
• 2、 Satoh, Tsuyoshi,Hirano, Mizue,Kuroiwa, Akio,Kaneko, Youhei. "A synthesis of optically active α-quaternary α-amino acids and esters by assembling three components, ketones, (R)-chloromethyl p-tolyl sulfoxide, and sodium azide, via sulfinyloxiranes". . p. 9268 - 9279. Retrieved 2007/10/03.