2-(4-Iodophenyl)ethylamine

Base Information

• Chemical Name: 2-(4-Iodophenyl)ethylamine
• CAS No.: 73918-57-7
• Molecular Formula: C8H10IN
• Molecular Weight: 247.079
• Hs Code.: 2921199990
• DSSTox Substance ID: DTXSID40569106
• Wikidata: Q72484365
• Mol file: 73918-57-7.mol

Synonyms:73918-57-7;2-(4-IODOPHENYL)ETHYLAMINE;2-(4-IODOPHENYL)ETHANAMINE;Benzeneethanamine,4-iodo-;4-Iodo-benzeneethanamine;2-(4-iodophenyl)ethan-1-amine;4-iodophenethylamine;2-(4-iodo-phenyl)ethylamine;SCHEMBL168309;2-(4-iodo-phenyl)-ethylamine;2-(4-iodophenyl)-1-ethylamine;DTXSID40569106;IQFHGSFDGGJWSJ-UHFFFAOYSA-N;MFCD00047958;AKOS010054829;CS-0268304;C78427;EN300-184179;J-506020

Chemical Property of 2-(4-Iodophenyl)ethylamine

Chemical Property:

• Boiling Point: 265.8 °C at 760 mmHg
• PKA: 9.72±0.10(Predicted)
• Flash Point: 114.5 °C
• PSA: 26.02000
• Density: 1.669 g/cm³
• LogP: 2.49270
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 246.98580
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

99% ^*data from raw suppliers

2-(4-IODOPHENYL)ETHYLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN)I

Technology Process of 2-(4-Iodophenyl)ethylamine

There total 4 articles about 2-(4-Iodophenyl)ethylamine 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:

4-iodophenylacetonitrile (51628-12-7) → p-Iodophenylethylamine (73918-57-7)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

DOI:10.1021/jo01106a047

Reference yield:

2-[2-(4-iodophenyl)ethyl]-1H-isoindole-1,3(2H)-dione (874202-06-9) → p-Iodophenylethylamine (73918-57-7)

Guidance literature:

With hydrazine hydrate; In butan-1-ol; at 110 ℃; for 2h;

DOI:10.1002/anie.201102472

Reference yield:

4-iodophenethyl alcohol (52914-23-5) → p-Iodophenylethylamine (73918-57-7)

Guidance literature:

Multi-step reaction with 2 steps

1: triphenylphosphine; diethylazodicarboxylate / tetrahydrofuran; toluene / 20 °C

2: hydrazine hydrate / butan-1-ol / 2 h / 110 °C

With hydrazine hydrate; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; toluene; butan-1-ol;

DOI:10.1002/anie.201102472

upstream raw materials:

4-iodophenylacetonitrile

2-[2-(4-iodophenyl)ethyl]-1H-isoindole-1,3(2H)-dione

4-iodophenethyl alcohol

(4-iodophenyl)acetic acid

Downstream raw materials:

2-[2-(4-iodophenyl)ethyl]-1H-isoindole-1,3(2H)-dione

C₅₆H₉₅NO₄Si

C₅₃H₈₇NO₄

C₅₁H₈₆INO₄