2-Amino-5-iodopyrimidine

Base Information

• Chemical Name: 2-Amino-5-iodopyrimidine
• CAS No.: 1445-39-2
• Molecular Formula: C4H4IN3
• Molecular Weight: 221
• Hs Code.: 2933599090
• European Community (EC) Number: 625-750-1
• NSC Number: 48224
• DSSTox Substance ID: DTXSID00286903
• Nikkaji Number: J1.237.176D
• Wikidata: Q72438448
• Mol file: 1445-39-2.mol

Synonyms:2-Amino-5-iodopyrimidine;1445-39-2;5-iodopyrimidin-2-amine;2-Amino-5-iodo-pyrimidine;2-Pyrimidinamine, 5-iodo-;MFCD01075666;5-Iodo-pyrimidin-2-ylamine;NSC48224;5-iodo-2-aminopyrimidine;SCHEMBL724513;DTXSID00286903;2-Amino-5-iodopyrimidine, 97%;AMY15099;NSC 48224;NSC-48224;AKOS015854847;CS-W005410;SB60768;AC-23029;SY030987;A3137;FT-0611173;EN300-97178;J-507954;F8880-8117;Z1269125822

Chemical Property of 2-Amino-5-iodopyrimidine

Chemical Property:

• Appearance/Colour: cream to brown crystalline powder
• Vapor Pressure: 1.63E-05mmHg at 25°C
• Melting Point: 219 °C
• Refractive Index: 1.719
• Boiling Point: 364.9 °C at 760 mmHg
• PKA: 2.08±0.10(Predicted)
• Flash Point: 174.5 °C
• PSA: 51.80000
• Density: 2.204 g/cm³
• LogP: 1.24460
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.94499
• Heavy Atom Count: 8
• Complexity: 69.7

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-5-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38-22
• Safety Statements: 37/39-26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=NC(=N1)N)I
• Uses: 2-Amino-5-iodopyrimidine is used as a reactant in the synthesis of aminopyrimidine and cyclic guanidine amino acids.

Technology Process of 2-Amino-5-iodopyrimidine

There total 2 articles about 2-Amino-5-iodopyrimidine 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: 93.0%

2-aminopyrimidine (109-12-6) → 2-amino-5-iodopyrimidine (1445-39-2)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃; for 0.6h;

Reference yield:

2-aminopyrimidine (109-12-6) + mercury(II) diacetate (1600-27-7) + water (7732-18-5) → 2-amino-5-iodopyrimidine (1445-39-2)

Guidance literature:

Erwaermen des Reaktionsprodukts mit Jod in Dioxan auf 70grad;

DOI:10.1021/ja01181a046

Reference yield: 91.0%

2-amino-5-iodopyrimidine (1445-39-2) + p-methoxybenzyl chloride (824-94-2) → 5-iodo-N,N-bis(4-methoxybenzyl)pyrimidin-2-amine (1448459-82-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 30 ℃; for 23h;

DOI:10.1016/j.tetlet.2013.06.066

upstream raw materials:

2-aminopyrimidine

mercury(II) diacetate

water

Downstream raw materials:

N-(5-iodo-pyrimidin-2-yl)-benzenesulfonamide

5-(4-nitro-phenylsulfanyl)-pyrimidin-2-ylamine

5-ethynylpyrimidine-2-amine

tert-butyl (N-methyl)-3-[(2-aminopyrimidin-5-yl)ethynyl]phenylcarbamate

Refernces

• 1、 -. "TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS". Page/Page column 62. . Retrieved 2014/01/08.
• 2、 Dong Li Chen,McLaughlin. "Use of pK(a) differences to enhance the formation of base triplets involving C-G and G-C base pairs". . p. 7468 - 7474. Retrieved 2007/10/03.