ChemicalBook--->CAS DataBase List--->556-90-1

556-90-1

556-90-1 Structure

556-90-1 Structure
IdentificationBack Directory
[Name]

Pseudothiohydantoin
[CAS]

556-90-1
[Synonyms]

usafdm-1
NSC45956
NSC 2858
NSC 45956
SBB004297
ST5104327
5324-10-7
USAF dm-1
usafbe-4-5
AIDS159806
AIDS-159806
4(5H)-Thiaz
USAF be-4-5
5-dihydro-1
AURORA 16732
ZINC01641186
ZINC03860694
EINECS 209-145-6
BUTTPARK 148\07-35
Pseudothiohydantion
PSEUDOTHIOHYDANTOIN
TIMTEC-BB SBB004297
2-aMinothiazol-4-ol
2-amino-4-thiazolone
-Amino-thiazol-4-one
2-AMinothiazol-4-one
2-AMINO-4-OXO-THIAZOLE
2-Imino-4-thiazolidone
2-imino-4-thiazolidinon
2-AMINOTHIAZOLINONE HCL
2-amino-4(5h)-thiazolon
Pseudothiohydantoin,97%
2-AMINO-4(5H)-THIAZOLONE
Pseudothiohydantoin ,98%
2-imino-4-thiazolidinone
2-aminothiazol-4(5H)-one
2-amino-1,3-thiazol-4-one
2-Imino-2-thiazolin-4-one
2-IMINO-THIAZOLIDIN-4-ONE
2-Iminothiazolidine-4-one
2-imino-1,3-thiazol-4-one
4(5H)-Thiazolone, 2-imino-
4-Thiazolidinone, 2-imino-
2-Thiazolin-4-one, 2-imino-
2-AMINO-1,3-THIAZOLIN-4-ONE
2-Thiazolin-4-one, 2-amino-
2-amino-1,3-thiazol-4(5H)-one
3-thiazol-4-one hydrochloride
2-Imino-1,3-thiazolidin-4-one
2-Amino-4,5-dihydrothiazol-4-one
2-AMINOTHIAZOLE-4-ONE HYDROCHLORIDE
2-AMINO-4,5-DIHYDRO-1,3-THIAZOL-4-ONE
2-AMINO-4,5-DIHYDRO-1,3-THIAZOL-4-ONE HYDROCHLORIDE
[EINECS(EC#)]

209-145-6
[Molecular Formula]

C3H4N2OS
[MDL Number]

MFCD00277945
[MOL File]

556-90-1.mol
[Molecular Weight]

116.14
Chemical PropertiesBack Directory
[Appearance]

white to yellowish fine needles or powder
[Melting point ]

249 °C (dec.)(lit.)
[Boiling point ]

253.5±23.0 °C(Predicted)
[density ]

1.637 g/cm3
[refractive index ]

1.6550 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

solid
[pka]

0.54±0.20(Predicted)
[EPA Substance Registry System]

4(5H)-Thiazolone, 2-amino- (556-90-1)
Hazard InformationBack Directory
[Chemical Properties]

white to yellowish fine needles or powder
[Uses]

2-Amino-4,5-dihydro-1,3-thiazol-4-one, HCl
[Synthesis]

Ethyl chloroacetate

105-39-5

Carbamimidothioic acid

17356-08-0

Pseudothiohydantoin

556-90-1

A) Synthesis of 2-imino-4-thiazolidinone (IV): 20g (0.263mol) of thiourea (III) and 50ml of ethanol were added to a 100ml round bottom flask fitted with a condenser. The mixture was heated to reflux. Over a period of 30 min, 32.22 g (0.263 mol) of ethyl chloroacetate (II) was slowly added dropwise to the reaction system. The reflux state was maintained and the progress of the reaction was monitored by thin layer chromatography (TLC). After completion of the reaction, the mixture was cooled to room temperature. The 2-imino-thiazolidin-4-one hydrochloride (pseudothioglycolide hydrochloride) was isolated by filtration. The hydrochloride was dissolved in water, neutralized with sodium acetate solution and 2-imino-4-thiazolidinone (IV) was precipitated after cooling. The product was collected by filtration and dried at 60 °C. Yield: 86%; melting point: 254-259 °C.

[References]

[1] Patent: CN105884712, 2016, A. Location in patent: Paragraph 0069; 0070; 0071
[2] Patent: CN104059060, 2017, B. Location in patent: Paragraph 0058; 0059; 0060
[3] Patent: WO2010/82212, 2010, A2. Location in patent: Page/Page column 28
[4] Patent: WO2017/176812, 2017, A1. Location in patent: Paragraph 0511
[5] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 22, p. 6739 - 6745
Safety DataBack Directory
[Hazard Codes ]

Xi
[Safety Statements ]

24/25
[WGK Germany ]

3
[RTECS ]

XJ6276000
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29349990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Thiourea-->Ethyl chloroacetate-->Carbamimidothioic acid-->Sodium acetate
[Preparation Products]

2-(3-(2-amino-2-methylpropyl)phenyl)-N-((4'-hydroxy-[1,1'-biphenyl]-3-yl)methyl)acetamide-->Mirin-->MRN-ATM Pathway Inhibitor, Mirin
Spectrum DetailBack Directory
[Spectrum Detail]

Pseudothiohydantoin(556-90-1)MS
Pseudothiohydantoin(556-90-1)1HNMR
Pseudothiohydantoin(556-90-1)13CNMR
Pseudothiohydantoin(556-90-1)IR1
Pseudothiohydantoin(556-90-1)IR2
Pseudothiohydantoin(556-90-1)Raman
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