S-Boc-2-mercapto-4,6-dimethylpyrimidine

Basic Information

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CAS Number

41840-28-2

Molecular Formula

C11H16N2O2S

Molecular Weight

240.33 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

Melting Point

50.0 to 54.0 deg-C

Boiling Point

358.8°C at 760 mmHg

Density

1.15

Refractive Index

1.534

SMILES

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CC1=CC(=NC(=N1)SC(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3

InChIKey

POTDIELOEHTPJN-UHFFFAOYSA-N

LogP

3.1206400000000016

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

243

Synonyms & References

English

A25408
tert-butyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate
2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine [Boc Agent for Peptides Synthesis]
CS-0078710
tert-Butyl S-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate
InChI=1/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3
Carbonothioic acid, O-(1,1-dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) ester
41840-28-2
AS-70568
S-tert-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimdine
B1089
tert-Butyl-5-(4.6-dimethylpyrimidine-2-yl)thiolcarbonate
2-(t-butoxycarbonylthio)-4,6-dimethylpyrimi-dine
Maybridge1_006865
Thiocarbonic acid, O-tert-butyl S-(4,6-dimethyl-2-pyrimidinyl)ester
S-tert-butyloxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine
C93478
S-t-butoxycarbonyl-4,6-dimethyl-2-mercaptopyrimidine
O-tert-butyl S-4,6-dimethylpyrimidin-2-yl carbonothioate
EINECS 255-562-1
4,6-dimethyl-2-tert-butoxycarbonylthiopyrimidine
2-BOC-Thio-4,6-dimethylpyrimidine;2-(Tert-butoxycarbonylthio)-4,6-dimethylpyrimidine;O-Tert-butyl-s-(4,6-dimethylpyrimidin-2-yl) thiolcarbonate;T-BOC-S-2-Mercapto-4,6-dimethylpyrimidine
AKOS015897258
O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate
o-(tert-Butyl) S-(4,6-dimethyl-2-pyrimidinyl) thiocarbonate #
CCRIS 2600
DTXSID90194644
2-Boc-thio-4,6-dimethylpyrimidine
s-Boc-2-mercapto-4,6-dimethylpyrimidine
HMS561A01
S-Boc-2-mercapto-4,6-dimethylpyrimidine, 98%

MDL Number

MFCD00006080

Customs Code

2933599090

FAQ

What is S-Boc-2-mercapto-4,6-dimethylpyrimidine (CAS: 41840-28-2)?

S-Boc-2-mercapto-4,6-dimethylpyrimidine is a chemical compound with the CAS number 41840-28-2. It is a yellow solid with a molecular formula of C9H13N3O2S. This compound is known for its thiol group and dimethylated pyrimidine ring, making it a versatile intermediate in organic synthesis.

What are the main uses of S-Boc-2-mercapto-4,6-dimethylpyrimidine (CAS: 41840-28-2)?

S-Boc-2-mercapto-4,6-dimethylpyrimidine is primarily used in the pharmaceutical industry as a precursor for the synthesis of various bioactive molecules. It is also utilized in organic synthesis as an intermediate and in research for developing new chemical reagents and materials.

Is S-Boc-2-mercapto-4,6-dimethylpyrimidine (CAS: 41840-28-2) safe?

S-Boc-2-mercapto-4,6-dimethylpyrimidine is generally considered safe when handled properly. However, it should be used with caution due to its reactivity. Protective measures include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Ensure good ventilation and avoid contact with skin and eyes.

How should S-Boc-2-mercapto-4,6-dimethylpyrimidine (CAS: 41840-28-2) be stored?

S-Boc-2-mercapto-4,6-dimethylpyrimidine should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The temperature should be maintained between 15-25°C, and it should be protected from humidity and atmospheric oxygen to maintain its stability.