N,N'-Dibenzylethylenediamine diacetate

Base Information

• Chemical Name: N,N'-Dibenzylethylenediamine diacetate
• CAS No.: 122-75-8
• Molecular Formula: C16H20N2^.2(C2H4O2)
• Molecular Weight: 360.453
• Hs Code.: 2921 59 90
• European Community (EC) Number: 204-572-4
• UNII: X18B8X2C22
• DSSTox Substance ID: DTXSID40883314
• Wikidata: Q27293293
• Mol file: 122-75-8.mol

Synonyms:benzathine;benzathine diacetate;benzathine dihydrochloride;N,N'-dibenzylethylenediamine

Chemical Property of N,N'-Dibenzylethylenediamine diacetate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 117-118 °C
• Boiling Point: 373.8 °C at 760 mmHg
• Flash Point: 220.5 °C
• PSA: 98.66000
• Density: 1.028 g/cm³
• LogP: 3.52960
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 360.20490738
• Heavy Atom Count: 26
• Complexity: 202

Purity/Quality:

99% ^*data from raw suppliers

N,N''-DibenzylethylenediamineDiacetateSalt ^*data from reagent suppliers

Safty Information:

• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)O.CC(=O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2
• 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.

Technology Process of N,N'-Dibenzylethylenediamine diacetate

There total 2 articles about N,N'-Dibenzylethylenediamine 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: 96.91%

acetic acid (64-19-7,77671-22-8) + N,N'-Dibenzylethylenediamine (140-28-3,87170-83-0) → N,N'-dibenzylethylenediamine diacetate (122-75-8)

Guidance literature:

In ethyl acetate; at 5 - 60 ℃; for 1h;

Reference yield:

N,N'-dibenzylethylenediamine diacetate (10507-26-3) → N,N'-dibenzylethylenediamine diacetate (122-75-8)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / water / 5 h / 1.5 - 76 °C

2: sodium hydroxide / water / 20 °C

3: ethyl acetate / 1 h / 5 - 60 °C

With hydrogenchloride; sodium hydroxide; In water; ethyl acetate;

Reference yield: 100.0%

N,N'-dibenzylethylenediamine diacetate (122-75-8) + (1S,4S)-1-<3-(benzoylthio)-2-methyl-1-oxopropyl>-4-(phenylthio)-L-proline potassium salt (81938-42-3) → zofenopril, Ν,Ν'-dibenzylethylenediamine salt

Guidance literature:

In ethanol; at 30 ℃; for 0.25h;

upstream raw materials:

N,N'-dibenzylethylenediamine diacetate

acetic acid

N,N'-Dibenzylethylenediamine

Downstream raw materials:

6β-((R)-2-phenoxy-butyrylamino)-penicillanic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

(5R)-6t-(2,6-dimethoxy-benzoylamino)-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

(5R)-3,3-dimethyl-6t-(5-methyl-3-phenyl-isoxazole-4-carbonylamino)-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

(5R)-6t-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

Refernces