ChemicalBook--->CAS DataBase List--->53554-29-3

53554-29-3

53554-29-3 Structure

53554-29-3 Structure
IdentificationMore
[Name]

1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
[CAS]

53554-29-3
[Synonyms]

1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-
1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER
BUTTPARK 21\07-73
Methyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
1,4-Dihydro-2-(methylthio)-4-oxo-5-pyrimidine-
1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINECARBOXYLIC ACID ETHYL ESTER >98%
5-PYRIMIDINECARBOXYLICACID,1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-,ETHYLESTER
ethyl 4-hydroxy-2-(methylthio)pyrimidine-5-carboxylate
Ethyl 1,4-dihydro-2-(methylthio)-4-oxopyrimidine-5-carboxylate
[Molecular Formula]

C8H10N2O3S
[MDL Number]

MFCD00023234
[Molecular Weight]

214.24
[MOL File]

53554-29-3.mol
Chemical PropertiesBack Directory
[Melting point ]

136-144°C
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[pka]

6.48±0.50(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C8H10N2O3S/c1-3-13-7(12)5-4-9-8(14-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
[InChIKey]

HDIWKNXVBQPJCO-UHFFFAOYSA-N
[SMILES]

C1(SC)NC(=O)C(C(OCC)=O)=CN=1
[CAS DataBase Reference]

53554-29-3(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium-->Phosphorus oxitrichloride-->Potassium hydroxide-->Acetic anhydride-->Benzene-->Triethyl orthoformate-->Diethyl malonate-->2-Methyl-2-thiopseudourea sulfate-->Diethyl ethoxymethylenemalonate
[Preparation Products]

5-PyriMidinecarboxylic acid, 4-[[(3-chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)- 1-pyrrolidinyl]--->4-Hydroxy-2-(methylthio)pyrimidine-5-carboxylic acid
Hazard InformationBack Directory
[Uses]

1,4-Dihydro-2-methylmercapto-4-oxo-5-pyrimidinecarboxylic acid ethyl ester can be used as several synthetic intermediates and pharmaceutical intermediates, mainly used in laboratory research and development process and pharmaceutical and chemical production process.
[Synthesis]

Methylthiourea sulfate (75.2g, 0.4mol) was added to 16% NaOH (250mL, 1.18mol) solution and stirred for 30min, then diethyl ethoxymethylenemalonate (103.4g, 0.48 mol) was dissolved in 160 mL of ethanol and slowly dropped into the reaction solution. After the dropwise addition was completed, the reaction was carried out at room temperature for 10 h. When a large amount of white solid was precipitated, carry out suction filtration, wash with water, and vacuum dry to obtain a white solid (84.7g, 99.7%); ESE-MS (m/z): 249[M+H]+, 236.9[M+Na]+ , after verification, the product is 1,4-dihydro-2-methylmercapto-4-oxo-5-pyrimidinecarboxylic acid ethyl ester.
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER(53554-29-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

53554-29-3(sigmaaldrich)
53554-29-3 suppliers list
Company Name: Suzhou Baosheng Pharmaceutical Technology Co., Ltd.,  Gold
Telephone: 18616776591
Website: http://www.sinch.com.cn
Company Name: Taizhou Ruishinuo Pharmaceutical Technology Co., Ltd.  Gold
Telephone: 0523-86848872 19952992164;18652727964;
Website: https://www.chemicalbook.com/ShowSupplierProductsList30641/0_EN.htm
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Nanjing Habo Medical Technology Co., Ltd.  
Telephone: 13376080562 13376090521
Website: http://www.habotech.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 400-6009262 15618770481
Website: www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: ChangZhou SIDU chemical Co., Ltd.  
Telephone: 0519-81291281 18015082300
Website: https://www.chemicalbook.com/ShowSupplierProductsList15241/0_EN.htm
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Jinan Bond Chemical Technology Co., Ltd.  
Telephone: 86-531-88280989
Website: www.chemicalbook.com/supplier/10812452
Company Name: T&W GROUP  
Telephone: 021-61551611 13296011611
Website: www.trustwe.com/
Company Name: Chengdu Forest Science and Technology Development Co., Ltd.  
Telephone: 18030648795 18030648795
Website: www.cdforestchem.com
Company Name: Nanjing Norris-Pharm Technology Co., Ltd  
Telephone: 13901585132
Website:
Tags:53554-29-3 Related Product Information
53554-29-3 330786-34-0 330785-84-7 1364671-52-2 211230-35-2 247569-72-8 330785-82-5 330784-47-9 36167-94-9 759408-08-7 56718-70-8