(S)-1-(4-iodophenyl)ethanamine

Base Information

• Chemical Name: (S)-1-(4-iodophenyl)ethanamine
• CAS No.: 150085-44-2
• Molecular Formula: C8H10 I N
• Molecular Weight: 247.079
• Hs Code.: 2921499090
• DSSTox Substance ID: DTXSID10933870
• Nikkaji Number: J1.680.340E
• Wikidata: Q72483876
• Mol file: 150085-44-2.mol

Synonyms:(S)-1-(4-iodophenyl)ethanamine;56639-48-6;(1S)-1-(4-iodophenyl)ethanamine;(1S)-1-(4-iodophenyl)ethan-1-amine;Benzenemethanamine,4-iodo-a-methyl-, (aR)-;SCHEMBL2391380;DTXSID10933870;(S)-1-(4-iodophenyl)ethan-1-amine;AKOS010396651;AKOS015840116;Benzenemethanamine,4-iodo-a-methyl-,(aS)-;Benzenemethanamine, 4-iodo--methyl-, (S)-;CS-0000290;EN300-87831

Chemical Property of (S)-1-(4-iodophenyl)ethanamine

Chemical Property:

• Vapor Pressure: 0.009mmHg at 25°C
• Boiling Point: 264.821°C at 760 mmHg
• PKA: 8.87±0.10(Predicted)
• Flash Point: 113.96°C
• PSA: 26.02000
• Density: 1.661g/cm³
• LogP: 3.01120
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 246.98580
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

97% ^*data from raw suppliers

(R)-1-(4-Iodophenyl)ethanamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)I)N
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)I)N

Technology Process of (S)-1-(4-iodophenyl)ethanamine

There total 6 articles about (S)-1-(4-iodophenyl)ethanamine 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: 96.0%

C10H9F3INO (439811-16-2) → R-(+)-1-(4-iodophenyl)ethylamine (150085-44-2)

Guidance literature:

With sodium hydroxide; In methanol; water;

DOI:10.1016/j.bmc.2004.11.046

Reference yield:

1-(4-iodophenyl)ethan-1-amine (90086-41-2) → R-(+)-1-(4-iodophenyl)ethylamine (150085-44-2) + 4-Iodoacetophenone (13329-40-3)

Guidance literature:

With monoamine oxidase; In dimethyl sulfoxide; at 37 ℃; for 20h; pH=7.5; Resolution of racemate; Enzymatic reaction;

DOI:10.1002/cctc.201300990

Reference yield:

(R)-1-phenyl-ethyl-amine (3886-69-9) → R-(+)-1-(4-iodophenyl)ethylamine (150085-44-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 1,2-dichloro-ethane / 1.5 h / 30 °C

2: 9.2 g / iodine; bis(trifluoroacetoxy)iodobenzene / 1,2-dichloro-ethane

3: 96 percent / NaOH / methanol; H₂O

With sodium hydroxide; iodine; bis-[(trifluoroacetoxy)iodo]benzene; In methanol; water; 1,2-dichloro-ethane;

DOI:10.1016/j.bmc.2004.11.046

upstream raw materials:

C₁₀H₉F₃INO

(R)-1-phenyl-ethyl-amine

N-<(R)-(+)-α-phenylethyl>-2,2,2-trifluoroacetamide

1-(4-iodophenyl)ethan-1-amine

Downstream raw materials:

N-(α-methyl-4-iodobenzyl)-N-formyl-C-formylglycine methyl ester

N-(α-methyl-4-iodobenzyl)-2-mercaptoimidazole-5-carboxylic acid methyl ester

N-(α-methyl-4-iodobenzyl)-N-formylglycine methyl ester

(R)-(+)-methyl 1-[1-(4-iodophenyl)ethyl]-1H-imidazole-5-carboxylate

Refernces

• 1、 Chao, Yu-Chiang,Chen, Deng-Gao,Chiu, Ching-Wen,Chou, Pi-Tai,Lin, Jin-Tai,Lin, Tai-Chun,Liu, Yi-Hung,Yang, Lan-Sheng. "Tuning the Circular Dichroism and Circular Polarized Luminescence Intensities of Chiral 2D Hybrid Organic–Inorganic Perovskites through Halogenation of the Organic Ions". . p. 21434 - 21440. Retrieved 2021.
• 2、 -. "RADIOPHARMACEUTICAL PRODUCTS FOR DIAGNOSIS AND THERAPY OF ADRENAL CARCINOMA". Page/Page column 15. . Retrieved 2014/04/17.