(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid | CAS No. 103365-69-1

(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid

Basic Information

CAS Number

103365-69-1

Molecular Formula

C6H8N2O4

Molecular Weight

172.14 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

212-214 ºC

Specific Rotation

49.2 º (c=1, DMF)

CN1C(=O)CC(NC1=O)C(=O)O

InChI

InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1

InChIKey

GWHDGNNXTNENIF-VKHMYHEASA-N

LogP

-0.9886999999999999

Topological Polar Surface Area

86.71000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

250

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H332 Harmful if inhaled
Acute toxicity, inhalation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • A800722
  • AM20070686
  • AKOS015850776
  • 103365-69-1
  • SCHEMBL23177173
  • (4S)-1-Methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
  • MFCD08460215
  • 1-methyl-L-4,5-dihydroorotic acid, AldrichCPR
  • (4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid
  • (4S)-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid
  • (S)-1-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIc acid
  • CS-W006654
  • GS-6651
  • AKOS006289959
  • EN300-1655976
  • (S)-1-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIcacid
  • (4S)-1-Methyl-2,6-Dioxohexahydro-4-Pyrimidinecarboxylic acid
  • GWHDGNNXTNENIF-VKHMYHEASA-N
  • (4S)-1-methyl-2,6-bis(oxidanylidene)-1,3-diazinane-4-carboxylic acid
  • 1-Methyl-L-4,5-dihydroorotic acid
  • DTXSID00542516
  • (S)-1-Methyl-2,6-dioxohexahydropyrimidine-4-carboxylic acid
  • (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylicacid
  • (4S)-1-methyl-2,6-dioxo-hexadydro-4-pyrimidinecarboxylicacid
  • hexahydro-1-methyl-2,6-dioxo-
  • (S)-3-methyldihydroorotic acid
  • 1-methyl-(S)-Dio-OH
  • 4-Pyrimidinecarboxylicacid,hexahydro-1-methyl-2,6-dioxo-,(4S)
  • PYR140
  • [ "" ]
  • 1-Methyl-L-4,5-dihyd

MDL Number

MFCD08460215

FAQ

What are the physical and chemical properties of (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1)?

The compound (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1) is a crystalline solid with a molecular weight of approximately 214.22 g/mol. It has a high solubility in water and organic solvents. Chemically, it exhibits moderate reactivity, particularly in acid and base catalyzed reactions. It is stable under normal conditions but should be handled with care to avoid prolonged exposure to extreme temperatures or strong reagents.

How is (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1) typically synthesized?

(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1) is often synthesized through a multistep process involving the condensation of 1,6-diaminohexane with 4-chloropyrimidine, followed by oxidation and methylation reactions. Common catalysts include palladium or platinum-based catalysts, and the overall yield is typically 70-80%.

What industries use (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1)?

(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1) is used in a variety of industries, including pharmaceuticals for the development of novel drugs, polymers as a precursor for functional materials, and sensors for detecting specific chemical or biological species. It also finds applications in the synthesis of semiconductors and as a building block for other organic compounds.

What precautions should be taken when handling (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1)?

When handling (4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid (CAS: 103365-69-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down with water. Consult the Safety Data Sheet (SDS) for more detailed emergency procedures and storage guidelines.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...