9-(4-Methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

Base Information

• Chemical Name: 9-(4-Methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
• CAS No.: 4066-17-5
• Molecular Formula: C15H21NO5S
• Molecular Weight: 327.3959
• DSSTox Substance ID: DTXSID60411032
• Wikidata: Q82217472
• Mol file: 4066-17-5.mol

Synonyms:4066-17-5;9-(4-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane;DTXSID60411032;AKOS024802514;AB00046900-01;F6118-0233;9-((4-methoxyphenyl)sulfonyl)-1,5-dioxa-9-azaspiro[5.5]undecane;9-(4-METHOXYBENZENESULFONYL)-1,5-DIOXA-9-AZASPIRO[5.5]UNDECANE

Chemical Property of 9-(4-Methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

Chemical Property:

• Vapor Pressure: 1.23E-09mmHg at 25°C
• Boiling Point: 487.1°Cat760mmHg
• Flash Point: 248.4°C
• Density: 1.33g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 327.11404394
• Heavy Atom Count: 22
• Complexity: 451

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)OCCCO3

Technology Process of 9-(4-Methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

There total 4 articles about 9-(4-Methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane 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%

2-formylamino-2-furan-2-yl-methyl-malonic acid diethyl ester (4066-15-3) → amino-furfuryl-malonic acid (4066-17-5)

Guidance literature:

With sodium hydroxide; for 6h; Heating;

DOI:10.1248/cpb.45.1865

Reference yield:

(2-furyl)methyl alcohol (98-00-0,25212-86-6,93793-62-5) → amino-furfuryl-malonic acid (4066-17-5)

Guidance literature:

Multi-step reaction with 3 steps

1: PBr₃ / tetrahydrofuran / 1.5 h / 0 °C

2: sodium ethoxide / 2 h / 68 - 72 °C

3: 74 percent / 10percent NaOH / 6 h / Heating

With sodium hydroxide; sodium ethanolate; phosphorus tribromide; In tetrahydrofuran;

DOI:10.1248/cpb.45.1865

Reference yield:

2-bromomethylfuran (4437-18-7) → amino-furfuryl-malonic acid (4066-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethoxide / 2 h / 68 - 72 °C

2: 74 percent / 10percent NaOH / 6 h / Heating

With sodium hydroxide; sodium ethanolate;

DOI:10.1248/cpb.45.1865

upstream raw materials:

2-formylamino-2-furan-2-yl-methyl-malonic acid diethyl ester

2-bromomethylfuran

(2-furyl)methyl alcohol

Downstream raw materials:

(rac)-2-amino-3-furan-2-yl-propionic acid