- BF3·SMe2 for Thiomethylation, Nitro Reduction and Tandem Reduction/SMe Insertion of Nitrogen HeterocyclesSoederstroem, Marcus; Zamaratski, Edouard; Odell, Luke R., European Journal of Organic Chemistry, 2019, 2019(31-32), 5402-5408
Cas no 1450-90-4 (Pyrimidine,4,6-bis(methylthio)-)
1450-90-4 structure
Product Name:Pyrimidine,4,6-bis(methylthio)-
CAS No:1450-90-4
MF:C6H8N2S2
MW:172.271118164063
CID:171594
PubChem ID:238759
Update Time:2025-04-19
Pyrimidine,4,6-bis(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4,6-bis(methylthio)-
- 4,6-Bis(methylthio)pyrimidine
- 4,6-bis(methylsulfanyl)pyrimidine
- CHEMBL1874376
- Pyrimidine, 4,6-bis(methylthio)-
- 1450-90-4
- MLS002608522
- di(methylsulfanyl)pyrimidine
- NSC43285
- SCHEMBL2762738
- NSC 43285
- DTXSID70162866
- HMS3091E08
- SMR001527269
- YIA01SY75T
- NSC-43285
- UNII-YIA01SY75T
-
- Inchi： 1S/C6H8N2S2/c1-9-5-3-6(10-2)8-4-7-5/h3-4H,1-2H3
- InChI Key： PDEXXTHEMNGLQV-UHFFFAOYSA-N
- SMILES： S(C)C1C=C(N=CN=1)SC
Computed Properties
- Exact Mass: 172.01304
- Monoisotopic Mass: 172.013
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 89.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 76.4?2
Experimental Properties
- Density: 1.26
- Boiling Point: 294.5°Cat760mmHg
- Flash Point: 131.9°C
- Refractive Index: 1.615
- PSA: 25.78
Pyrimidine,4,6-bis(methylthio)- Production Method
Production Method 1
Reaction Conditions
1.1 16 - 72 h, 60 °C
1.2 Solvents: Methanol
1.2 Solvents: Methanol
Reference
Production Method 2
Reaction Conditions
1.1 Solvents: Tetrahydrofuran , Water ; 3 °C; 4 h, 3 °C → rt
1.2 Reagents: Water ; rt
1.2 Reagents: Water ; rt
Reference
- Synthesis of Alkylated Pyrimidines via Photoinduced Coupling Using Benzophenone as a MediatorKamijo, Shin ; Kamijo, Kaori; Murafuji, Toshihiro, Journal of Organic Chemistry, 2017, 82(5), 2664-2671
Pyrimidine,4,6-bis(methylthio)- Raw materials
- Sodium Methanethiolate (~20% in Water)
- 4,6-Dichloropyrimidine
- Boron trifluoride methyl sulfide complex
Pyrimidine,4,6-bis(methylthio)- Preparation Products
Pyrimidine,4,6-bis(methylthio)- Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
1450-90-4 (Pyrimidine,4,6-bis(methylthio)-) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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