(S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid

Basic Information

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CAS Number

90600-20-7

Molecular Formula

C10H17NO4

Molecular Weight

215.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

334.3°C at 760 mmHg

Density

1.1835 (rough estimate)

Refractive Index

1.4610 (estimate)

Specific Rotation

10.5 º (c=1, methanol)

SMILES

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CC(C)(C)OC(=O)NC(CC=C)C(=O)O

InChI

InChI=1S/C10H17NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,11,14)(H,12,13)

InChIKey

BUPDPLXLAKNJMI-UHFFFAOYSA-N

LogP

1.5404000000000002

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

255

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid
(S)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid
(S)-N-Boc-Allylglycine
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
Boc-(S)-2-Allylglycine
Boc-(S)-2-amino-4- pentenoic acid
Boc-L-Allylglycine
L-Boc-Allylglycine
N-Boc-L-Allylglycine
Boc-alpha-Allyl-L-Gly
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2S)-
(S)-2-(tert-butoxycarbonylamino)pent-4-enoic acid
Boc-D-Allylglycine
(S)-2-Boc-AMino-4-pentenoic acid
BOC-A-Allyl-L-Gly
(S)-N-Boc-2-Allylglycine
(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentenoic acid (ACI)
4-Pentenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)- (ZCI)
(2S)-2-[[(tert-Butoxy)carbonyl]amino]pent-4-enoic acid
(S)-2-[(tert-Butoxycarbonyl)amino]-4-pentenoic acid
(S)-N-Boc-AlLylglycine
BOC-L-Allylglycine
N-(tert-Butoxycarbonyl)-(S)-allylglycine
N-Boc-(S)-2-allylglycine
N-BOC-L-Allylglycine
N-tert-Butoxycarbonyl-L-allylglycine
Boc-
n-boc-l-allylglycine
(S)-2-tert-butoxycarbonylamino-pent-4-enoic acid
(S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoicacid
EN300-1178120

MDL Number

MFCD01320851

Customs Code

2924199090

FAQ

What are the physical and chemical properties of (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid (CAS: 90600-20-7)?

(S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid is a white crystalline solid with a molecular weight of approximately 271.39 g/mol. It has a low water solubility and is not very reactive under normal conditions. The compound is stable in air but should be stored in a dry environment to prevent degradation.

How is (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid (CAS: 90600-20-7) typically synthesized?

(S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid is synthesized through the condensation of (S)-2-amino-4-pentenoic acid and tert-butyloxycarbonyl chloride. The reaction is typically conducted in the presence of a base such as triethylamine. The yield is generally high, and the product can be isolated by recrystallization.

What industries use (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid (CAS: 90600-20-7)?

(S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid is used in the pharmaceutical industry for the synthesis of various biologically active compounds. It is also employed in the polymer industry for developing functional polymers and in the sensor industry for the fabrication of biosensors.

What precautions should be taken when handling (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid (CAS: 90600-20-7)?

When handling (S)-2-((tert-Butoxycarbonyl)amino)pent-4-enoic acid, it is important to wear proper personal protective equipment (PPE), including gloves and safety goggles. The substance should be handled in a well-ventilated area or under a fume hood. In case of a spill, immediately clean up using appropriate materials and refer to the safety data sheet (SDS) for further instructions.