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

Basic Information

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CAS Number

87691-27-8

Molecular Formula

C10H17NO5

Molecular Weight

231.25 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

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

146 °C (D)

Boiling Point

390.9°C at 760 mmHg

Density

1.312

Flash Point

190.2°C

Refractive Index

1.531

Specific Rotation

-50 º (c=0.67, MeOH)

SMILES

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O=C(O)[C@H]1N(C(OC(C)(C)C)=O)C[C@@H](O)C1

InChI

InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7-/m0/s1

InChIKey

BENKAPCDIOILGV-BQBZGAKWSA-N

LogP

0.44129999999999986

Topological Polar Surface Area

87.07000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

580

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

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

易吸潮

Synonyms & References

English

(2S,4S)-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
N-Boc-cis-4-hydroxy-L-proline
cis-N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
N-t-BOC-cis-4-hydroxy-L-proline
(2S,4S)-1-tert-Butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
Boc-(2S,4S)-(-)-4-hydroxypyrrolidine-2-carboxylicacid
BOC-CIS-4-HYDROXY-L-PROLINE
cis-boc-Hyp-OH
(S,S)-cis-1-N-Boc-4-hydroxy-proline
cis-N-Boc-4-hydroxy-L-proline
Boc-cis-Hyp-OH
N-Boc-cis-4-hydroxypyrrolidine-2-carboxylic acid
1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2S-cis)- (ZCI)
1-(1,1-Dimethylethyl) (2S,4S)-4-hydroxy-1,2-pyrrolidinedicarboxylate (ACI)

MDL Number

MFCD02094406

FAQ

What is (4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8)?

(4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) is an L-proline derivative with a hydroxyl group at the 4th position and a specific carbonyl group structure. It is a white crystal or crystalline powder with a pungent odor. This compound has good water solubility and is used in various applications including pharmaceuticals, research, and food additives.

What are the main uses of (4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8)?

(4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in food additives for its stabilizing and emulsifying properties. In research, this compound serves as a key compound for studies related to amino acid derivatives and their biological activities.

Is (4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) safe?

(4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) is generally considered safe when used as directed. However, it should be handled with care due to its reactivity. Users should follow proper safety protocols, including wearing appropriate personal protective equipment (PPE), and ensure adequate ventilation during handling. Storage should be in a cool, dry place away from direct sunlight and sources of ignition.

How should (4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) be stored?

(4S)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-proline (CAS: 87691-27-8) should be stored in a cool, dry, and well-ventilated area away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. The compound is stable under normal storage conditions, but it should be protected from extremes of temperature and humidity to maintain its quality and stability.