N,N'-Dibenzyl ethylenediamine diacetate Chemical Properties

Melting point:

117-118°C

bulk density

280kg/m3

storage temp. 

Store below +30°C.

Water Solubility 

Soluble in water

solubility 

Chloroform (Slightly), Ethyl Acetate (Slightly), Water (Slightly)

form 

powder to crystal

color 

White to Almost white

PH

5-6 (50g/l, H2O, 20°C)

Merck 

14,1064

BRN 

3781362

InChI

InChI=1S/C16H20N2.2C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;2*1-2(3)4/h1-10,17-18H,11-14H2;2*1H3,(H,3,4)

InChIKey

MTRNNCLQPVCDLF-UHFFFAOYSA-N

SMILES

C1(=CC=CC=C1)CNCCNCC1=CC=CC=C1.C(=O)(O)C.C(=O)(O)C

CAS DataBase Reference

122-75-8(CAS DataBase Reference)

EPA Substance Registry System

N,N'-Dibenzyl ethylenediamine diacetate (122-75-8)

Safety Information

Risk Statements 

22-43

Safety Statements 

36/37

WGK Germany 

WGK 3 highly water endangering

RTECS 

KV3400000

TSCA 

Yes

HS Code 

2921 59 90

MSDS

• Language:English Provider:ALFA

N,N'-Dibenzyl ethylenediamine diacetate Usage And Synthesis

Chemical Properties

White needle crystal

Uses

N,N''-Dibenzylethylenediamine is currently being investigated as a potential hepatitis C virus inhibitor. N,N''-dibenzylethylenediamine and its derivatives are also inhibitors of cholesterol biosynthesis.

Synthesis

S3. The mixed organic phase of Compound C with toluene obtained in step S2 was transferred to a three-necked flask and the fractions were removed by distillation. After the mixture was cooled to 30°C, it was dissolved in 200 g of ethyl acetate and heated to 60°C. Subsequently, 20 g of glacial acetic acid at 98% concentration was slowly added dropwise. After the dropwise addition was completed, the reaction conditions were maintained for 1.0 hour. Upon completion of the reaction, the mixture was slowly cooled and 49.5 g of the wet product (i.e., a hydrate containing N,N'-dibenzylethylenediamine diacetate) was collected by filtration. The wet product was dried at 45 °C to give 49.0 g of N,N'-dibenzylethylenediamine diacetate (i.e., compound D).

References

[1] Patent: CN108558676, 2018, A. Location in patent: Page/Page column 8-10

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