Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate

Basic Information

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CAS Number

93267-04-0

Molecular Formula

C9H16INO4

Molecular Weight

329.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

49.0 to 53.0 deg-C

Boiling Point

356.5℃ at 760 mmHg

Density

1.5510

Water Solubility

Soluble in water and 1% acetic acid.

Flash Point

169.4 °C

Specific Rotation

-4° (c=2, MeOH)

SMILES

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

InChI

InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1

InChIKey

UGZBFCCHLUWCQI-LURJTMIESA-N

LogP

1.4877

Topological Polar Surface Area

64.63 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

237

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

Sensitiveness

Light Sensitive

Synonyms & References

English

GS-3464
Boc-beta-iodo-Alanine methyl ester
N-boc-3-iodo-L-alanine methyl ester
C9H16INO4
UGZBFCCHLUWCQI-LURJTMIESA-N
Boc-
methyl (R)-2-((tert-butoxycarbonyl)amino)-3-iodopropanoate
Boc-beta-iodo-Ala-OMe
MFCD00216579
PD196120
methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-iodopropanoate
Methyl (2r)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CS-M3115
AM20120710
N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-L-alanine methyl ester
Boc-beta-iodo-L-alanine methyl ester
Boc-beta-iodo-Ala-OMe, >=96.0% (GC)
Boc-Ala(3-I)-OMe
(S)-Boc-b-Iodo-Ala-OMe
tert-butyl (R)-1-(methoxycarbonyl)-2-iodoethylcarbamate
(R)-methyl 2-(tert-butoxycarbonylamino)-3-iodopropanoate
93267-04-0
HY-79676
N-(tert-Butoxycarbonyl)-3-iodo-L-alanine methyl ester
Boc-beta-iodo-Ala-OMe, 99%
DTXSID80447838
AKOS005259631
EN300-201825
Boc-3-Iodo-L-Ala-OMe
Boc-ss-iodo-Ala-OMe
N-Boc-3-Iodoalanine methyl ester

MDL Number

MFCD00216579

Customs Code

2924199090

FAQ

What is Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0)?

Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate is an organic compound with the CAS number 93267-04-0. It belongs to the class of esters and contains an iodine atom attached to a carbonyl group, which is further connected to an alanine residue. This compound is typically used in chemical synthesis and is known for its reactivity in organic reactions, particularly in coupling processes. Its molecular structure includes a methyl group, an alanine moiety, and a tert-butyl ester group, making it a valuable intermediate in pharmaceutical and research applications.

What are the main uses of Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0)?

Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0) is primarily used in pharmaceutical research as a building block for drug development. It serves as an intermediate in the synthesis of various bioactive compounds and is also employed in organic chemistry for its utility in coupling reactions. Due to its functional groups, it finds applications in the creation of peptides, esters, and other derivatives relevant to medicinal chemistry and chemical synthesis.

Is Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0) safe?

Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0) is generally considered safe when handled properly. However, due to its iodine content, it may exhibit mild toxicity if inhaled or ingested. It is advisable to use appropriate personal protective equipment (PPE) such as gloves and goggles, and to follow standard laboratory safety protocols. Proper ventilation and storage are essential to ensure safe handling and minimize exposure risks.

How should Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0) be stored?

Methyl 3-iodo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate (CAS: 93267-04-0) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a sealed container away from moisture and air to prevent degradation. Storage at temperatures below 25°C is optimal, and it should be protected from light and incompatible substances. Always follow the manufacturer's guidelines for safe storage conditions.