6-Iodoquinazolin-4-one
- Iupac Name：6-iodo-1H-quinazolin-4-one
- CAS No.: 16064-08-7
- Molecular Weight：272.045
- Modify Date.: 2022-11-22 16:51
- Introduction: 6-Iodoquinazolin-4-one is an intermediate in the synthesis of Lapatinib (L175800). 6-Iodoquinazolin-4-one Preparation Products And Raw materials Raw materials
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1. Names and Identifiers
- 1.1 Name
- 6-Iodoquinazolin-4-one
- 1.2 Synonyms
4(1H)-Quinazolinone, 6-iodo- 4(3H)-Quinazolinone, 6-iodo- 4-Hydroxy-6-iodoquinazoline 4-Quinazolinol, 6-iodo- 6-Iodo-1H-quinazolin-4-one 6-Iodo-3,4-dihydroquinazolin-4-one 6-Iodo-3H-quinazolin-4-one 6-Iodo-4(1H)-quinazolinone 6-Iodo-4(3H)-quinazolinone 6-Iodo-4-quinazolinol 6-Iodo-4-quinazolinol6-Iodo-4-quinazolinone 6-Iodo-4-quinazolinone 6-Iodo-4-quinazolone 6-Iodoquin 6-iodoquinazolin-4(3H)-one 6-Iodoquinazolin-4-ol 6-Iodoquinazolin-4-one,95+ TIMTEC-BB SBB005376
- 1.3 CAS No.
- 16064-08-7
- 1.4 CID
- 763741
- 1.5 EINECS(EC#)
- 605-218-5
- 1.6 Molecular Formula
- C8H5IN2O (isomer)
- 1.7 Inchi
- InChI=1S/C8H5IN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
- 1.8 InChkey
- PUGXMZKDRVGIHC-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C1=CC2=C(C=C1I)C(=O)N=CN2
- 1.10 Isomers Smiles
- C1=CC2=C(C=C1I)C(=O)N=CN2
2. Properties
- 2.1 Density
- 2.11
- 2.1 Melting point
- 272 - 274 oC
- 2.1 Boiling point
- 401 oC at 760 mmHg
- 2.1 Refractive index
- 1.779
- 2.1 Flash Point
- 196.3 oC
- 2.1 Precise Quality
- 271.94500
- 2.1 PSA
- 46.01000
- 2.1 logP
- 1.94000
- 2.1 Appearance
- White to Almost white powder to crystal
- 2.2 Chemical Properties
- White Solid
- 2.3 pKa
- 1.00±0.20(Predicted)
3. Use and Manufacturing
- 3.1 Usage
- 6-Iodoquinazolin-4-one is an intermediate in the synthesis of Lapatinib (L175800). 6-Iodoquinazolin-4-one Preparation Products And Raw materials Raw materials
4. Safety and Handling
- 4.1 Risk Statements
- 36
- 4.1 Safety Statements
- 26
- 4.1 Hazard Declaration
- H315
- 4.1 Caution Statement
- P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
- 4.1 Specification
-
6-Iodoquinazolin-4-one , its cas register number is 16064-08-7. It also can be called 6-Iodo-3h-Quinazolin-4-One ; 6-Iodo-4-Quinazolone ; 6-Iodo-1h-Quinazolin-4-One ; 6-Iodoquinazolin-4(1h)-One ; 6-Iodo-4(3h)-Quinazolinone ; 6-Iodoquinazolin-4-Ol .
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Skin irritation, Category 2
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H315 Causes skin irritation H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
6. Synthesis Route
16064-08-7Total: 8 Synthesis Route
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-
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Literatures:
Patel, Gautam; Karver, Caitlin E.; Behera, Ranjan; Guyett, Paul J.; Sullenberger, Catherine; Edwards, Peter; Roncal, Norma E.; Mensa-Wilmot, Kojo; Pollastri, Michael P.
Journal of Medicinal Chemistry, 2013 , vol. 56, # 10 p. 3820 - 3832
Yield: ~67%
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8. Other Information
- 8.0 Chemical Properties
- White Solid
- 8.1 Uses
- 6-Iodoquinazolin-4-one is an intermediate in the synthesis of Lapatinib (L175800).
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10. Realated Product Infomation
skype
10YRS
