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Methyl (S)-(−)-2-isocyanato-3-phenylpropionate

CAS 40203-94-9C6H5CH2CH(NCO)CO2CH3Chemical Synthesis

Methyl (S)-(−)-2-isocyanato-3-phenylpropionate (CAS: 40203-94-9), with the molecular formula C6H5CH2CH(NCO)CO2CH3 and a molecular weight of 205.21 g/mol, is a chiral building block. This isocyanate derivative is valuable in asymmetric synthesis and chemical research for creating complex organic molecules. Its specific stereochemistry makes it a key intermediate in the preparation of various biologically relevant compounds.

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Methyl (S)-(−)-2-isocyanato-3-phenylpropionate (C6H5CH2CH(NCO)CO2CH3) — chemical structure, CAS 40203-94-9; Chemistry, fine chemical supplied by Tech Serve Solutions
Asymmetric SynthesisChemical SynthesisChiral Building BlocksIsocyanatesOrganic Building Blocks
01 /Applications

Dipeptide Analog Synthesis

This compound has been utilised in the synthesis of dipeptide analogues related to angiotensinogen, showcasing its utility in medicinal chemistry research.

Schiff Base Derivative Preparation

It serves as a precursor for Schiff base derivatives, which have been investigated for their inhibitory properties against enzymes such as thermolysin.

Chiral Intermediate in Organic Synthesis

As a chiral building block, it is instrumental in introducing specific stereochemistry into target molecules during multi-step organic syntheses.

02 /Properties
Molecular weight205.21
Linear formulaC6H5CH2CH(NCO)CO2CH3
Assay99%
Boiling point244 °C(lit.)
Density1.13 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.513(lit.)
Optical activity[α]20/D −80.0°, neat
ApplicationThis compound has been employed in the preparation of dipeptide analogs of angiotensinogen1 and Schiff base derivatives for the inhibition of thermolysin.2
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H226Flammable liquid and vapour
  • H302Harmful if swallowed
  • H312Harmful in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H332Harmful if inhaled
  • H335May cause respiratory irritation

Precautionary statements

  • P261Avoid breathing dust, fume, gas or vapours
  • P280Wear protective gloves, clothing and eye/face protection
  • P305IF IN EYES
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point46 °C / 114.8 °F
Transport (UN / ADR)UN 1993C 3 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)20/21/22-36/37/38
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
40203-94-9
MDL number
MFCD00191535
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Methyl (S)-(−)-2-isocyanato-3-phenylpropionate used for?

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Methyl (S)-(−)-2-isocyanato-3-phenylpropionate (CAS: 40203-94-9) is used as a chiral building block in asymmetric synthesis and chemical research, including the preparation of dipeptide analogs and Schiff base derivatives.

What are the CAS number and chemical formula for this compound?

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The CAS number is 40203-94-9, and the chemical formula is C6H5CH2CH(NCO)CO2CH3.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Methyl (S)-(−)-2-isocyanato-3-phenylpropionate with an assay of 99%. This product is supplied for research and chemical synthesis purposes and is not represented as USP, BP, EP, or pharmacopoeia grade.

How should Methyl (S)-(−)-2-isocyanato-3-phenylpropionate be handled safely?

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This compound is flammable and harmful if swallowed, inhaled, or in contact with skin, and causes skin and eye irritation. Handle with appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator, in a well-ventilated area. Avoid ignition sources.

Is this chemical available for export?

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Yes, Tech Serve Solutions is a global supplier and exporter of fine chemicals, pharmaceutical intermediates, and laboratory reagents, including Methyl (S)-(−)-2-isocyanato-3-phenylpropionate.

How can I request a sample or a quote?

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Please contact our sales team through the website to request a sample or obtain a quotation for Methyl (S)-(−)-2-isocyanato-3-phenylpropionate.

Need Methyl (S)-(−)-2-isocyanato-3-phenylpropionate in a specific grade or volume?