4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline

Basic Information

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CAS Number

203866-15-3

Molecular Formula

C10H15F2NO4

Molecular Weight

251.23 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 Specialty Chemicals UV Stabilizers

Basic Physical Properties

Melting Point

120-124 °C

Boiling Point

340.4℃ at 760 mmHg

Density

1.31

Flash Point

340.4 °C at 760 mmHg

Refractive Index

1.474

SMILES

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CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F

InChI

InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m0/s1

InChIKey

WTMZYKCXBXPVPT-LURJTMIESA-N

LogP

1.7157000000000002

Topological Polar Surface Area

66.84 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

338

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
C10H15F2NO4
N-(tert-butoxycarbonyl) 4,4-difluoroproline
CS-W004000
AKOS015950477
SCHEMBL185992
(2S)-1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid
N-Boc-4,4-difluoro-L-proline, 97%
FD2039
N-BOC-4,4-DIFLUORO-L-PROLINE
203866-15-3
1,2-Pyrrolidinedicarboxylic acid, 4,4-difluoro-, 1-(1,1-dimethylethyl) ester, (2S)-
n-boc-4,4-difluoroproline
(S)-1-(tert-Butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylicacid
B4202
AKOS005064113
AM807695
A4436
(2S)-N-(tert-Butyloxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid
(S)-1-(tert-Butoxycarbonyl)-4,4-difluoro-2-pyrrolidinecarboxylic Acid
EN300-364372
N-t-BOC-4,4-Difluoro-L-proline
(S)-N-Boc-4,4-difluoropyrrolidine-2-carboxylic acid
(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
1-(TERT-BUTOXYCARBONYL)-4,4-DIFLUORO-L-PROLINE
N-(tert-Butoxycarbonyl)-4,4-difluoro-L-proline
(S)-1-Boc-4,4-difluoro-2-pyrrolidinecarboxylic Acid
DTXSID90629289
MFCD03094917
(2S)-4,4-Difluoro-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
DS-16678

MDL Number

MFCD03094917

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3)?

4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3) has a crystalline form and a molecular weight of approximately 258.06 g/mol. It is slightly soluble in water and has low solubility in organic solvents. The compound is moderately reactive, especially under acidic conditions. It is stable under neutral and slightly basic conditions.

How is 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3) typically synthesized?

4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3) is typically synthesized through a multi-step process involving the protection of the L-proline, followed by the installation of the difluoro group and the introduction of the carboxylic acid group. The synthesis involves the use of standard organic chemistry techniques such as esterification, protection/deprotection, and coupling reactions.

What industries use 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3)?

4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3) is used in the pharmaceutical industry for the synthesis of intermediates and APIs. It is also utilized in the polymer industry for the development of novel polymers with enhanced properties. Additionally, it has potential applications in the sensing and semiconductor industries due to its unique chemical structure.

What precautions should be taken when handling 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3)?

When handling 4,4-Difluoro-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 203866-15-3), it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. Fume hoods should be used during handling to minimize exposure to vapor. In case of spill, refer to the Safety Data Sheet (SDS) for proper disposal procedures.