Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-

Base Information

• Chemical Name: Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-
• CAS No.: 135447-09-5
• Molecular Formula: C20H39NO4
• Molecular Weight: 357.534
• European Community (EC) Number: 805-822-0
• DSSTox Substance ID: DTXSID70404031
• Nikkaji Number: J2.465.202E
• Wikidata: Q82207986
• Mol file: 135447-09-5.mol

Synonyms:135447-09-5;Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-;2-[2-(dioctylamino)-2-oxoethoxy]acetic acid;2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic Acid;N,N-Di-n-octyl-3-oxapentanedioic Acid Monoamide;2-(2-(Dioctylamino)-2-oxoethoxy)acetic acid;DODGAA;N,N-dioctyldiglycolamic acid;SCHEMBL3275169;DTXSID70404031;KOHUSHSNNOEPFN-UHFFFAOYSA-N;MFCD01104697;AKOS024365769;2-(2-(Dioctylamino)-2-oxoethoxy)aceticacid;D4360;D90278

Chemical Property of Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-

Chemical Property:

• Melting Point: 41.0 to 45.0 °C
• Boiling Point: 503.5±30.0 °C(Predicted)
• PKA: 3.32±0.10(Predicted)
• PSA: 66.84000
• Density: 0.982±0.06 g/cm3(Predicted)
• LogP: 4.63720
• Storage Temp.: 0-10°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 357.28790873
• Heavy Atom Count: 25
• Complexity: 318

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-[2-(Dioctylamino)-2-oxoethoxy]aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O

Technology Process of Acetic acid, [2-(dioctylamino)-2-oxoethoxy]-

There total 5 articles about Acetic acid, [2-(dioctylamino)-2-oxoethoxy]- 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: 98.1%

1,4-dioxane-2,6-dione (4480-83-5) + n-dioctylamine (1120-48-5) → 2-(2-(di-octylamino)-2-oxoethoxy)acetic acid (135447-09-5)

Guidance literature:

In acetone; at 20 ℃; Product distribution / selectivity;

Reference yield:

2-dioctylcarbamoylmethoxy-N-[3-[(2-dioctyl-carbamoylmethoxy-acetylamino)methyl]benzyl]acetamide (1027755-54-9) → n-dioctylamine (1120-48-5) + N,N-dioctylacetamide (4088-41-9) + N,N’-dioctyl-α-hydroxy acetamide (440339-85-5) + 2-hydroxy-N-[3-({2-[2-(octylamino)-2-oxoethoxy]acetamido}methyl)benzyl]acetamide (1325217-49-9) + 2-[2-(3-formylbenzylamino)-2-oxoethoxy]-N,N-dioctylacetamide (1325217-44-4) + 2-{2-[3-(aminomethyl)benzylamino]-2-oxoethoxy}-N,N-dioctylethanamide (1325217-51-3) + 2-{2-[3-(acetamidomethyl)benzylamino]-2-oxoethoxy}-N,N-dioctylacetamide (1325217-41-1) + 2-(2-{3-[(2-hydroxyacetamido)methyl]benzylamino}-2-oxoethoxy)-N,N-dioctylacetamide (1325217-52-4) + N,N-dioctyl-2-{2-[3-({2-[2-(octylamino)-2-oxoethoxy]acetamido}methyl)benzylamino]-2-oxoethoxy}acetamide (1325217-45-5) + 2-(2-(di-octylamino)-2-oxoethoxy)acetic acid (135447-09-5)

Guidance literature:

In dodecane; octanol; Irradiation;

DOI:10.1002/ejoc.201100443

Reference yield:

2-dioctylcarbamoylmethoxy-N-[3-[(2-dioctyl-carbamoylmethoxy-acetylamino)methyl]benzyl]acetamide (1027755-54-9) → n-dioctylamine (1120-48-5) + N,N’-dioctyl-α-hydroxy acetamide (440339-85-5) + 2-[2-(3-formylbenzylamino)-2-oxoethoxy]-N,N-dioctylacetamide (1325217-44-4) + 2-{2-[3-(aminomethyl)benzylamino]-2-oxoethoxy}-N,N-dioctylethanamide (1325217-51-3) + 3-({2-[2-(dioctylamino)-2-oxoethoxy]acetamido}methyl)benzoic acid (1325217-43-3) + 3-({2-[2-(dioctylamino)-2-oxoethoxy]acetamido}methyl)benzamide (1325217-42-2) + 2-{2-[3-(acetamidomethyl)benzylamino]-2-oxoethoxy}-N,N-dioctylacetamide (1325217-41-1) + 2-(2-{3-[(2-hydroxyacetamido)methyl]benzylamino}-2-oxoethoxy)-N,N-dioctylacetamide (1325217-52-4) + N,N-dioctyl-2-{2-[3-({2-[2-(octylamino)-2-oxoethoxy]acetamido}methyl)benzylamino]-2-oxoethoxy}acetamide (1325217-45-5) + 2-(2-(di-octylamino)-2-oxoethoxy)acetic acid (135447-09-5)

Guidance literature:

Irradiation;

DOI:10.1002/ejoc.201100443

upstream raw materials:

1,4-dioxane-2,6-dione

n-dioctylamine

2-dioctylcarbamoylmethoxy-N-[3-[(2-dioctyl-carbamoylmethoxy-acetylamino)methyl]benzyl]acetamide

diglycolyl chloride

Downstream raw materials:

2-{2-[3-(1,3-dioxolan-2-yl)benzylamino]-2-oxoethoxy}-N,N-dioctylacetamide

2-[2-(3-{[2-(benzyloxy)acetamido]methyl}benzylamino)-2-oxoethoxy]N,N-dioctylacetamide

2-(2-{3-[(2-hydroxyacetamido)methyl]benzylamino}-2-oxoethoxy)-N,N-dioctylacetamide

4-nitrophenyl-2-(2-(dioctylamino)-2-oxoethoxy)acetate

Refernces

• 1、 Azra, N.,Iqbal, M.,Mehmood, T.,Waheed, K.. "Diglycolamide Based Mono and Di-Ionic Liquids Having Imidazolium Cation for Effective Extraction and Separation of Pb(II) and Co(II)". . p. 1040 - 1046. Retrieved 2021/07/17.
• 2、 Gao, Yang,He, Hui,Jiao, Caishan,Li, Chunhui,Liu, Sheng,Liu, Yaoyang,Liu, Zhibin,Zhang, Shaowen,Zhao, Chuang,Zhou, Yu. "A comparative study on the coordination of diglycolamide isomers with Nd(iii): extraction, third phase formation, structure, and computational studies". . p. 27969 - 27977. Retrieved 2021/09/15.