2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Basic Information

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CAS Number

365996-87-8

Molecular Formula

C12H17N3O4S

Molecular Weight

299.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

481.2℃ at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)S(=O)(=O)C

InChI

InChI=1S/C12H17N3O4S/c1-12(2,3)19-11(16)15-6-8-5-13-10(20(4,17)18)14-9(8)7-15/h5H,6-7H2,1-4H3

InChIKey

OWHKZXFLURWFDL-UHFFFAOYSA-N

LogP

1.1308

Topological Polar Surface Area

89.46000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

480

Synonyms & References

English

DTXSID30593814
tert-Butyl 2-(methanesulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester;6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CS-D1271
Tert-butyl2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
DS-10804
6-Boc-2-(methylsulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SCHEMBL741206
5,7-Dihydro-2-(methylsulphonyl)-6H-pyrrolo[3,4-d]pyrimidine, N6-BOC protected
tert-butyl 2-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
2-Methanesulfonyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
365996-87-8
6-(tert-Butoxycarbonyl)-5,7-dihydro-2-methylsulfonyl-pyrrolo[3,4-d]pyrimidine
tert-Butyl 2-(methylsulfinyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
MFCD09839781
J-524412
F30389
FT-0646152
AKOS015852578
SY105565
OWHKZXFLURWFDL-UHFFFAOYSA-N
6-(tert-Butoxycarbonyl)-5,7-dihydro-2-methylsulfonylpyrrolo[3,4-d]pyrimidine
tert-butyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
TERT-BUTYL 2-(METHYLSULFONYL)-5H-PYRROLO[3,4-D]PYRIMIDINE-6(7H)-CARBOXYLATE
A849501
tert-Butyl 2-(methylsulfonyl)-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylicacid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethyleth...
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylicacid, 5,7-dihydro-2-(methylsulfonyl)-, 1,1-dimethylethyl ester
2-(methylsulfonyl)-5,7-dihydro-6H-pyrolo[3,4-d]pyrimidine-
AG-F-27849
ANW-56592

MDL Number

MFCD09839781

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8)?

The compound 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8) should follow the guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA for handling, transportation, and storage. Specific safety data sheets (SDS) and regulatory compliance guides should be consulted for detailed information.

Are there alternatives to 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate in synthesis?

In the synthesis of 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8), there are alternatives such as related pyrimidine derivatives or other heterocyclic compounds. Common substitutes include 5-(methylthio)-1,3,4-oxadiazole derivatives, which can serve as functional analogs.

What is the market or research trend for 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8)?

The market and research trends for 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8) are focused on its potential applications in pharmaceuticals and agrochemicals. Recent research has shown increasing interest in its use as an intermediate in drug development and as a component in fungicides. Prices and demand are expected to stabilize with growing interest in its therapeutic and agricultural applications.

How should waste containing 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8) be handled?

Waste containing 2-Methyl-2-propanyl 2-(methylsulfonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate (CAS: 365996-87-8) should be collected in sealed containers and disposed of according to local regulations. Incineration or professional waste disposal services are recommended. Proper environmental precautions should be taken to prevent contamination, and safety protocols must be followed to ensure the health and safety of all personnel involved.