2,2'-Iminobisethyl diacetate

Base Information

• Chemical Name: 2,2'-Iminobisethyl diacetate
• CAS No.: 65121-95-1
• Molecular Formula: C8H15 N O4
• Molecular Weight: 189.211
• European Community (EC) Number: 265-471-9
• DSSTox Substance ID: DTXSID1070228
• Nikkaji Number: J307.287H
• Wikidata: Q81997442
• Mol file: 65121-95-1.mol

Synonyms:2,2'-Iminobisethyl diacetate;65121-95-1;2-(2-acetyloxyethylamino)ethyl acetate;Ethanol, 2,2'-iminobis-, diacetate (ester);azanediylbis(ethane-2,1-diyl) diacetate;EINECS 265-471-9;Ethanol, 2,2'-iminobis-, 1,1'-diacetate;2-[(2-acetoxyethyl)amino]ethyl acetate;SCHEMBL68618;2,2'-Iminobisethanol diacetate;DTXSID1070228;AKOS025296136;AM85863;azanediylbis(ethane-2,1-diyl)diacetate;acetic acid 2-(2-acetoxy-ethylamino)-ethyl ester

Chemical Property of 2,2'-Iminobisethyl diacetate

Chemical Property:

• Boiling Point: 256.0±25.0 °C(Predicted)
• PKA: 8.73±0.19(Predicted)
• Density: 1.072±0.06 g/cm3(Predicted)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 189.10010796
• Heavy Atom Count: 13
• Complexity: 152

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCNCCOC(=O)C

Technology Process of 2,2'-Iminobisethyl diacetate

There total 2 articles about 2,2'-Iminobisethyl diacetate 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:

tert-butyl bis(2-acetoxyethyl)carbamate (1041434-05-2) → 2-[(2-acetoxyethyl)amino]ethyl acetate (65121-95-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.1021/jo800736c

Reference yield:

acetic acid 2-[(2-acetoxy-ethyl)-benzyloxycarbonyl-amino]-ethyl ester → 2-[(2-acetoxyethyl)amino]ethyl acetate (65121-95-1)

Guidance literature:

DOI:10.1016/S0960-894X(01)00067-1

Reference yield:

2-[(2-acetoxyethyl)amino]ethyl acetate (65121-95-1) + C14H15BCl2O4 → N1,N1,N3,N3-tetrakis[2-(acetoxy)ethyl]5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalamide (1041434-15-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jo800736c

upstream raw materials:

tert-butyl bis(2-acetoxyethyl)carbamate

Downstream raw materials:

N¹,N¹,N³,N³-tetrakis[2-(acetoxy)ethyl]5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalamide

Refernces

• 1、 Wittman, Mark D.,Kadow, John F.,Vyas, Dolatrai M.,Lee, Francis L.,Rose, William C.,Long, Byron H.,Fairchild, Craig,Johnston, Kathy. "Synthesis and antitumor activity of novel paclitaxel-chlorambucil hybrids". . p. 811 - 814. Retrieved 2007/10/03.