ETHYL 3-ISOTHIOCYANATOPROPIONATE

Base Information

• Chemical Name: ETHYL 3-ISOTHIOCYANATOPROPIONATE
• CAS No.: 17126-62-4
• Molecular Formula: C6H9NO2S
• Molecular Weight: 159.209
• Hs Code.: 2930909090
• Mol file: 17126-62-4.mol

Synonyms:Propionicacid, 3-isothiocyanato-, ethyl ester (6CI,7CI,8CI);2-Carbethoxyethylisothiocyanate;Ethyl 3-isothiocyanatopropionate;

Chemical Property of ETHYL 3-ISOTHIOCYANATOPROPIONATE

Chemical Property:

• Vapor Pressure: 0.033mmHg at 25°C
• Refractive Index: 1.5014
• Boiling Point: 242.9 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 70.75000
• Density: 1.09g/cm³
• LogP: 1.04240
• Sensitive.: Moisture Sensitive

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-Isothiocyanatopropionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of ETHYL 3-ISOTHIOCYANATOPROPIONATE

There total 3 articles about ETHYL 3-ISOTHIOCYANATOPROPIONATE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl β-alaninate hydrochloride (4244-84-2) → 3-isothiocyanatopropionic acid ethyl ester (17126-62-4)

Guidance literature:

With dichloromethane; chloroform; triethylamine;

DOI:10.1021/ja01546a035

Reference yield:

thiophosgene (463-71-8) + ethyl β-alaninate hydrochloride (4244-84-2) → 3-isothiocyanatopropionic acid ethyl ester (17126-62-4)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; water;

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + ethanol (64-17-5) + 3-amino propanoic acid (107-95-9) → 3-isothiocyanatopropionic acid ethyl ester (17126-62-4)

Guidance literature:

Multistep reaction; (i) aq. KOH, (ii) EtBr, (iii) /BRN= 1718733/, TsOH, (iv) Et₃N, AgNO₃, MeCN;

DOI:10.1021/jo01036a014

upstream raw materials:

thiophosgene

ethyl β-alaninate hydrochloride

carbon disulfide

ethanol

Downstream raw materials:

3-[3-(4-Methoxy-phenyl)-4,5-dioxo-2-thioxo-imidazolidin-1-yl]-propionic acid ethyl ester

3-(4,5-Dioxo-2-thioxo-3-p-tolyl-imidazolidin-1-yl)-propionic acid ethyl ester

3-(4,5-Dioxo-3-phenyl-2-thioxo-imidazolidin-1-yl)-propionic acid ethyl ester

3-{3-(4-Methoxy-phenyl)-4,5-bis-[(Z)-4-methoxy-phenylimino]-2-thioxo-imidazolidin-1-yl}-propionic acid ethyl ester