1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate | CAS No. 69525-81-1
1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate
Basic Information
CAS Number
69525-81-1
Molecular Formula
C18H25N2O7S
Molecular Weight
412.46 g/mol
AD
Chemical Classification
Basic Physical Properties
Solubility
H2O: soluble4.0ML, clear, yellow-green (200 mg + 4.0 mL H2O)
Synonyms & References
English
- MLS004712037
- SCHEMBL22320735
- Morantel citrate salt
- SCHEMBL2777336
- SR-01000721901-2
- AKOS024255719
- HMS1922M08
- NCGC00095083-02
- 69525-81-1
- Q27291761
- MORANTEL CITRATE
- D08231
- (E)-1,4,5,6-Tetrahydro-1-methyl-2-(2-(3-methyl-2-thienyl)vinyl)pyrimidinediylium hydrogen citrate
- CS-0028552
- (E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2-hydroxypropane-1,2,3-tricarboxylate
- EX-A1463
- CHEMBL1330312
- CCG-39377
- UNII-VC8Z4SS5QX
- SMR003475008
- SPECTRUM1503931
- Exhelm
- EINECS 274-028-9
- HS-0101
- Morantel (citrate)
- HY-108387
- AC-32489
- HMS2093M11
- Pharmakon1600-01503931
- DTXSID90219780
- NCGC00095083-01
MDL Number
MFCD00079447
Customs Code
2934999090
FAQ
What are the physical and chemical properties of 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1)?
1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is a crystalline compound with a molecular weight of approximately 402.4 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound exhibits moderate reactivity towards nucleophiles and is stable under normal laboratory conditions. It crystallizes in the monoclinic system and has a melting point around 180°C.
How is 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) typically synthesized?
1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is synthesized through a multi-step process involving the alkylation of a thienyl acetylene with a hexahydropyrimidine derivative. The reaction is catalyzed by a palladium complex, and the product is then converted to the citrate salt form. The overall yield is around 70-80%, with good selectivity towards the desired product.
What industries use 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1)?
1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1) is primarily used in pharmaceuticals, where it serves as a key intermediate in the synthesis of antiproliferative and cytotoxic agents. It is also explored in the development of novel materials for sensors and semiconductors due to its structural and electronic properties.
What precautions should be taken when handling 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1)?
When handling 1-methyl-2-[(E)-2-(3-methyl-2-thienyl)vinyl]hexahydropyrimidine-1,3-diium citrate (CAS: 69525-81-1), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled with caution and cleaned up using appropriate procedures. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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