4-Iodobenzene-1,2-diamine

Base Information

• Chemical Name: 4-Iodobenzene-1,2-diamine
• CAS No.: 21304-38-1
• Molecular Formula: C6H7IN2
• Molecular Weight: 234.039
• Hs Code.: 2921599090
• DSSTox Substance ID: DTXSID20458761
• Nikkaji Number: J83.071B
• Wikidata: Q72484358
• Mol file: 21304-38-1.mol

Synonyms:4-iodobenzene-1,2-diamine;21304-38-1;1,2-Diamino-4-iodobenzene;4-Iodo-1,2-diaminobenzene;4-iodo-1,2-phenylenediamine;1,2-Benzenediamine, 4-iodo-;4-iodo-benzene-1,2-diamine;MFCD08669466;2-amino-4-iodophenylamine;2-Amino-5-iodoaniline;2-amino4-iodophenylamine;SCHEMBL571047;DTXSID20458761;FUOSRKZBOIVBOS-UHFFFAOYSA-N;AMY14574;AKOS010982887;AS-5614;CS-W005472;SY022873;2,2-DICHLOROPROPIONICACIDSODIUMSALT;FT-0647703;EN300-56253;A20810;Z852343818

Chemical Property of 4-Iodobenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 9.46E-05mmHg at 25°C
• Melting Point: 73-77℃
• Refractive Index: 1.757
• Boiling Point: 339 °C at 760 mmHg
• PKA: 3.37±0.10(Predicted)
• Flash Point: 158.8 °C
• PSA: 52.04000
• Density: 2.016 g/cm³
• LogP: 2.61800
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• Sensitive.: Light Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 233.96540
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98%min ^*data from raw suppliers

4-Iodobenzene-1,2-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)N)N
• Uses: It is employed in the synthesis of N-(Benzimidazol-2-ylmethyl)iminodiacetic acids.

Technology Process of 4-Iodobenzene-1,2-diamine

There total 5 articles about 4-Iodobenzene-1,2-diamine 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: 92.0%

4-iodo-2-nitroaniline (20691-72-9) → 4-iodobenzene-1,2-diamine (21304-38-1)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; at 75 ℃; for 2h;

Reference yield:

SnCl2.2H2O + 4-iodo-2-nitroaniline (20691-72-9) → 4-iodobenzene-1,2-diamine (21304-38-1)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

2-nitro-aniline (88-74-4) → 4-iodobenzene-1,2-diamine (21304-38-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / sodium acetate, iodine monochloride / acetic acid / 0.5 h / Heating

2: 71 percent / stannous chloride, conc. HCl / 1 h / 65 - 70 °C

With hydrogenchloride; sodium acetate; Iodine monochloride; tin(ll) chloride; In acetic acid;

DOI:10.1071/CH9832317

upstream raw materials:

5-iodo-2-nitro-aniline

4-iodo-2-nitroaniline

2-nitro-aniline

Downstream raw materials:

(S)-tert-butyl (1-((2-amino-5-iodophenyl)amino)-3,3-dimethyl-1-oxobutan-2-yl)carbamate

3-(3,4-dichlorophenyl)-4-(5-iodo-2-benzimidazolyl)butanoic acid hydrochloride

3-(4-chlorophenyl)-4-(5-iodo-2-benzimidazolyl)butanoic acid hydrochloride

3-(3-chlorophenyl) 4-(5-iodo-2-benzimidazolyl)butanoic acid hydrochloride

Refernces

• 1、 -. "RADIOACTIVE IODINE LABELED STYRYL SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND". Paragraph 0051. . Retrieved 2016/11/21.
• 2、 Matsumura, Kenji,Ono, Masahiro,Kitada, Ayane,Watanabe, Hiroyuki,Yoshimura, Masashi,Iikuni, Shimpei,Kimura, Hiroyuki,Okamoto, Yoko,Ihara, Masafumi,Saji, Hideo. "Structure-Activity Relationship Study of Heterocyclic Phenylethenyl and Pyridinylethenyl Derivatives as Tau-Imaging Agents That Selectively Detect Neurofibrillary Tangles in Alzheimers Disease Brains". . p. 7241 - 7257. Retrieved 2015/10/05.