METHYL 2-ISOTHIOCYANATOACETATE

Base Information

• Chemical Name: METHYL 2-ISOTHIOCYANATOACETATE
• CAS No.: 21055-37-8
• Molecular Formula: C4H5NO2S
• Molecular Weight: 131.155
• Hs Code.: 2930909090
• Mol file: 21055-37-8.mol

Synonyms:Aceticacid, isothiocyanato-, methyl ester (6CI,8CI,9CI);2-(Isothiocyanato)aceticacid methyl ester;Isothiocyanatoacetic acid methyl ester;Methyl2-isothiocyanatoacetate;Methyl isothiocyanatoacetate;NSC 218418;AC1L3HPQ;AC1Q445G;CID140795;NSC218418;ZINC01755266;

Chemical Property of METHYL 2-ISOTHIOCYANATOACETATE

Chemical Property:

• Appearance/Colour: beige liquid, irritating odor
• Vapor Pressure: 0.454mmHg at 25°C
• Refractive Index: 1.5200
• Boiling Point: 193.9 °C at 760 mmHg
• Flash Point: 71.1 °C
• PSA: 70.75000
• Density: 1.16 g/cm³
• LogP: 0.26220
• Sensitive.: Moisture Sensitive

Purity/Quality:

99%, ^*data from raw suppliers

Methyl2-Isothiocyanatoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-34-42
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of METHYL 2-ISOTHIOCYANATOACETATE

There total 6 articles about METHYL 2-ISOTHIOCYANATOACETATE 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: 58.0%

thiophosgene (463-71-8) + glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) → methyl isothiocyanatoacetate (21055-37-8)

Guidance literature:

With sodium hydrogencarbonate; In water;

DOI:10.1016/j.tet.2016.07.061

Reference yield:

carbon disulfide (75-15-0,12122-00-8) → methyl isothiocyanatoacetate (21055-37-8)

Guidance literature:

carbon disulfide; methyl glycine salt; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

With p-toluenesulfonyl chloride; at 0 ℃; for 3h;

DOI:10.1055/s-0034-1379638

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + glycine ethyl ester hydrochloride (5680-79-5,883886-67-7) → methyl isothiocyanatoacetate (21055-37-8)

Guidance literature:

With chloroformic acid ethyl ester; triethylamine; Yield given. Multistep reaction; 1.) CHCl₃, 30 min; 2.) 1 h;

DOI:10.1007/BF00811126

upstream raw materials:

thiophosgene

glycine ethyl ester hydrochloride

carbon disulfide

isocyanoacetic acid methyl ester

Downstream raw materials:

[4-[(Z)-Phenylimino]-3-(triphenyl-λ⁵-phosphanylidene)-thietan-(2E)-ylideneamino]-acetic acid methyl ester

N-phenyl-N'-methoxycarbonylmethyl thiourea

methyl (4-oxo-2-thioxo-1,3-thiazolidine-3-yl)acetate

(R,S)-(4-amino-phenyl)-(3-ethoxycarbonylmethyl-ureido)acetic acid methyl ester

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