Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate

Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate - Names and Identifiers

Name	Isocanatomethylthiobutyricacidmethylester
Synonyms	methyl N-(oxomethylidene)-L-methioninate Isocanatomethylthiobutyricacidmethylester METHYL (S)-(-)-2-ISOCYANATO-4-(METHYLTHIO)BUTYRATE Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate (S)-(-)-2-Isocanato-4-(methylthio)butyric acid methyl ester (S)-(-)-2-ISOCANATO-4-(METHYLTHIO)BUTYRIC ACID METHYL ESTER (S)-(-)-2-ISOCYANATO-4-(METHYLTHIO)BUTYRIC ACID METHYL ESTER
CAS	93778-88-2
InChI	InChI=1/C7H11NO3S/c1-11-7(10)6(8-5-9)3-4-12-2/h6H,3-4H2,1-2H3/t6-/m0/s1

Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate - Physico-chemical Properties

Molecular Formula	C7H11NO3S
Molar Mass	189.23
Density	1,17 g/cm3
Boling Point	270.1°C at 760 mmHg
Flash Point	117.1°C
Vapor Presure	0.007mmHg at 25°C
Storage Condition	2-8℃
Refractive Index	-52.5 ° (C=neat)

Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. R52 - Harmful to aquatic organisms R41 - Risk of serious damage to eyes R37/38 - Irritating to respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S39 - Wear eye / face protection.
UN IDs	2206

Methyl (2S)-2-isocyanato-4-(methylsulfanyl)butanoate - Introduction

Isocanatomethylthiobutyricacidmethylester, the chemical structure is CH3OOCCH2C(SCH3)(CN), the molecular formula is C6H9NOS, and the molecular weight is 143.2g/mol.

Its nature:
1. Appearance: colorless to yellowish liquid
2. Melting point:-38°C
3. Boiling point: 85-88°C
4. Density: 1.085 g/mL
5. Refractive index: 1.487

Its main purpose:
1. As a reaction reagent in organic synthesis, it is commonly used in the synthesis of compounds with amino functional groups.
2. can be widely used in drug synthesis, pesticide synthesis and other fields.

Method:
The preparation of Isocanatomethylthiobutyricacidmethylester usually goes through the following steps:
1. Reaction: (S)-butylaminobutyric acid methyl ester reacts with sodium thiocyanate in an appropriate solvent to generate (S)-2-isocyanato-4-(methylthio) butyric acid methyl ester.
2. purification: through crystallization, condensation or distillation and other methods to separate the pure product.

Safety Information:
Isocanatomethylthiobutyricacidmethylester is an organic compound, and the following safety precautions should be paid attention to during operation:
1. Irritating to skin and eyes, rinse with plenty of water immediately after contact.
2. As an organic compound, it may cause combustion or explosion. Avoid contact with open flames and other sources of fire.
3. in the operation should be equipped with appropriate protective measures, such as wearing gloves, goggles and protective clothing.
4. should be operated in a well-ventilated place to avoid inhalation of its vapor.

Before using this compound, it is recommended to refer to the Chemical Safety Data Sheet and related literature for detailed safety information and procedures.

Last Update：2024-04-09 19:05:53