4-[Bis(2-iodoethyl)amino]benzaldehyde

Base Information

• Chemical Name: 4-[Bis(2-iodoethyl)amino]benzaldehyde
• CAS No.: 72700-11-9
• Molecular Formula: C11H13I2NO
• Molecular Weight: 429.036
• NSC Number: 76781
• DSSTox Substance ID: DTXSID00291613
• Nikkaji Number: J2.998.931A
• Wikidata: Q82029611

Synonyms:4-[bis(2-iodoethyl)amino]benzaldehyde;72700-11-9;Benzaldehyde, 4-[bis(2-iodoethyl)amino]-;4-(bis(2-iodoethyl)amino)benzaldehyde;NSC76781;DTXSID00291613;NSC-76781

Chemical Property of 4-[Bis(2-iodoethyl)amino]benzaldehyde

Chemical Property:

• Vapor Pressure: 5.58E-08mmHg at 25°C
• Boiling Point: 441.1°C at 760 mmHg
• Flash Point: 220.6°C
• Density: 2.045g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 428.90866
• Heavy Atom Count: 15
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)N(CCI)CCI

Technology Process of 4-[Bis(2-iodoethyl)amino]benzaldehyde

There total 3 articles about 4-[Bis(2-iodoethyl)amino]benzaldehyde 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: 63.0%

4-(bis(2-chloroethyl)amino)benzaldehyde (1208-03-3) → 4-(bis(2-iodoethyl)amino)benzaldehyde (72700-11-9)

Guidance literature:

With sodium iodide; In butanone; at 65 ℃; for 24h;

DOI:10.1021/ja207004v

Reference yield:

2,2'-(phenylimino)bis[ethanol] (120-07-0) → 4-(bis(2-iodoethyl)amino)benzaldehyde (72700-11-9)

Guidance literature:

Multi-step reaction with 2 steps

1: trichlorophosphate / N,N-dimethyl-formamide / 4 h / 90 °C / Cooling

2: sodium iodide / butanone / 24 h / 65 °C

With sodium iodide; trichlorophosphate; In N,N-dimethyl-formamide; butanone;

DOI:10.1021/ja207004v

Reference yield:

→ 4-(bis(2-iodoethyl)amino)benzaldehyde (72700-11-9)

Guidance literature:

2-Chloraethyl-Verb., NaI, sd. Butanon-(2), 6 Std.;

DOI:10.1021/jo01061a606

upstream raw materials:

2,2'-(phenylimino)bis[ethanol]

4-(bis(2-chloroethyl)amino)benzaldehyde

Downstream raw materials:

4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)benzaldehyde

4-(3-(4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)phenyl)prop-2-enoyl)benzonitrile

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl 4-(3-(4-cyanophenyl)-5-(4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonate

(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl 4-(3-(4-cyanophenyl)-5-(4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)-3-fluorobenzene-1-sulfonate

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