2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

35150-07-3

Molecular Formula

C10H18N2O3

Molecular Weight

214.27 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 Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

104-108 °C

Boiling Point

370.1 °C at 760mmHg

Density

1.1550

Flash Point

177.6℃

Refractive Index

1.504

Specific Rotation

-40° ~ -48° (c=2% in EtOH)

SMILES

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CC(C)(C)OC(=O)N1CCCC1C(=O)N

InChI

InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-7(12)8(11)13/h7H,4-6H2,1-3H3,(H2,11,13)/t7-/m0/s1

InChIKey

PITJAAIPVBVRAO-ZETCQYMHSA-N

LogP

0.8711999999999995

Topological Polar Surface Area

72.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

270

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

tert-Butyl (S)-2-Carbamoyl-1-pyrrolidinecarboxylate
(S)-2-CARBAMOYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Q-102177
N-(tert-Butoxycarbonyl)-L-prolinamide
boc-l-proline amide
boc-pro-nh2
(l)-1-n-boc-prolinamide
(l)-1-n-boc-prolidinamide
1-(tert-Butoxycarbonyl)pyrrolidine-2-carboximidic acid
N-Boc-L-prolinamide
tert-butyl (2S)-2-carbamoylpyrrolidine-1-carboxylate
tert-Butyloxycarbonyl-L-prolinamid
B3756
AC-145
(S)-2-Carbamoyl-1-pyrrolidinecarboxylic Acid tert-Butyl Ester
DL-1-Boc-prolinamide
(S)-N-BOC-PYRROLIDINE-2-CARBOXAMIDE
AKOS015841248
L-1-N-Boc-prolidinamide
(R)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate
(s)-tert-butyl 2-carbamoylpyrrolidine-1-carboxylate
(S)-2-(Aminocarbonyl)-1-pyrrolidinecarboxylic acid
MFCD00190827
N-(tert-Butoxycarbonyl)proline amide
PITJAAIPVBVRAO-ZETCQYMHSA-N
1-Boc-L-prolinamide, 97%
B56853
n-tert-butoxycarbonyl-l-proline amide
35150-07-3
DTXSID60956599
SCHEMBL240483

MDL Number

MFCD00190827

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3)?

2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3) is a crystalline compound with a molecular weight of 281.35 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and ethanol. Chemically, it is reactive and can undergo hydrolysis under basic conditions. It has a pKa of approximately 8.0, indicating its basic nature.

How is 2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3) typically synthesized?

2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3) is typically synthesized via a multistep process involving the formation of an intermediate pyrrolidine derivative followed by carbamoylation. This process often involves the use of EDC (N,N'-carbonyldiimidazole) as a coupling agent and a base such as triethylamine. The overall yield is moderate to good, and the reaction is carried out under mild conditions to maintain the stereochemistry at the chiral center.

What industries use 2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3)?

2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3) is used in the pharmaceutical industry as an intermediate in the synthesis of certain medicinal compounds. It is also utilized in the chemical industry for its reactivity, particularly in the development of new materials and as a building block for complex organic molecules.

What precautions should be taken when handling 2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3)?

When handling 2-Methyl-2-propanyl (2S)-2-carbamoyl-1-pyrrolidinecarboxylate (CAS: 35150-07-3), it is important to use appropriate personal protective equipment (PPE) including gloves and safety goggles. The compound should be stored in a fume hood to minimize inhalation exposure. In case of spill, it should be carefully cleaned up with appropriate absorbent materials. It is crucial to refer to the Material Safety Data Sheet (MSDS) for detailed information and emergency procedures.