4-Chloro-6-iodoquinazoline

Base Information

• Chemical Name: 4-Chloro-6-iodoquinazoline
• CAS No.: 98556-31-1
• Molecular Formula: C8H4ClIN2
• Molecular Weight: 290.491
• Hs Code.: 2933990090
• European Community (EC) Number: 801-828-2
• DSSTox Substance ID: DTXSID50457722
• Nikkaji Number: J1.859.979A
• Wikidata: Q72452661
• Mol file: 98556-31-1.mol

Synonyms:4-chloro-6-iodoquinazoline;98556-31-1;4-chloro-6-iodo-quinazoline;QUINAZOLINE, 4-CHLORO-6-IODO-;MFCD01862193;6-iodo-4-chloroquinazoline;4chloro-6-iodoquinazoline;6-iodo4-chloroquinazoline;4-chloro-6-iodo quinazoline;SCHEMBL140574;4-chloro-6-iodo-quinazoline-;DTXSID50457722;BDAIUOPDSRAOKI-UHFFFAOYSA-N;BCP22644;AKOS015851274;AC-8507;CS-W019529;PB19952;AS-11431;SY020620;AM20090785;C2775;FT-0656664;EN300-80629;A19365;AR-527/43405044;Q-101354;Z1222427648

Chemical Property of 4-Chloro-6-iodoquinazoline

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 3.84E-05mmHg at 25°C
• Melting Point: 175.0 to 179.0 °C
• Refractive Index: 1.739
• Boiling Point: 363.2 °C at 760 mmHg
• PKA: 0.15±0.30(Predicted)
• Flash Point: 173.4 °C
• PSA: 25.78000
• Density: 2.017 g/cm³
• LogP: 2.88780
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 289.91077
• Heavy Atom Count: 12
• Complexity: 167

Purity/Quality:

99%min ^*data from raw suppliers

4-Chloro-6-iodoquinazoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1I)C(=NC=N2)Cl
• Uses: 4-Chloro-6-iodoquinazoline is an intermediate in the synthesis of Lapatinib (L175800).

Technology Process of 4-Chloro-6-iodoquinazoline

There total 8 articles about 4-Chloro-6-iodoquinazoline 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: 99.0%

6-iodo-4-hydroxyquinazoline (16064-08-7) → 4-chloro-6-iodoquinazoline (98556-31-1)

Guidance literature:

With Vilsmeier reagent; In 1,2-dichloro-ethane; for 4.5h; Heating / reflux;

Reference yield: 99.0%

6-iodoquinazolin-4(3H)-one (16064-08-7) → 4-chloro-6-iodoquinazoline (98556-31-1)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; for 4.5h; Heating / reflux;

Reference yield: 99.0%

6-iodo-1H-quinazolin-4-one (16064-08-7) → 4-chloro-6-iodoquinazoline (98556-31-1)

Guidance literature:

6-iodo-1H-quinazolin-4-one; With triethylamine; trichlorophosphate; In toluene; at 20 - 75 ℃; for 2h;

In methanol; toluene; at 20 ℃; for 0.25h;

upstream raw materials:

6-iodoquinazolin-4(3H)-one

2-amino-5-iodobenzoic acid

6-iodo-1H-quinazolin-4-one

6-iodo-4-hydroxyquinazoline

Downstream raw materials:

2-(6-iodoquinazolin-4-ylamino)ethanol

N-(3-chloro-4-fluorophenyl)-6-iodo-4-quinazolinamine

(4-Benzyloxy-phenyl)-(6-iodo-quinazolin-4-yl)-amine

(6-iodo-((4-benzyloxy)-3-chlorophenyl)-quinazolin-4-yl)amine

Refernces

• 1、 Lan, Ta Thu,Anh, Duong Tien,Pham-The, Hai,Dung, Do Thi Mai,Park, Eun Jae,Jang, Sun Dong,Kwon, Joo Hee,Kang, Jong Soon,Thuan, Nguyen Thi,Han, Sang-Bae,Nam, Nguyen-Hai. "Design, Synthesis and Bioevaluation of Two Series of 3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]quinazolin-4(3H)-ones and N-(1-Benzylpiperidin-4-yl)quinazolin-4-amines". . . Retrieved 2020/07/06.
• 2、 -. "Hetero-aromatic compound and its use in medicine". Paragraph 1729; 1732-1734. . Retrieved 2019/07/04.