N-[Bis(methylthio)methylene]glycine ethyl ester

Base Information

• Chemical Name: N-[Bis(methylthio)methylene]glycine ethyl ester
• CAS No.: 54985-61-4
• Molecular Formula: C7H13NO2S2
• Molecular Weight: 207.318
• DSSTox Substance ID: DTXSID40450085
• Nikkaji Number: J550.003F
• Mol file: 54985-61-4.mol

Synonyms:N-[BIS(METHYLTHIO)METHYLENE]GLYCINE ETHYL ESTER;54985-61-4;Ethyl 2-[bis(methylsulfanyl)methylideneamino]acetate;SCHEMBL3894516;DTXSID40450085;IBHAJSHOFWNLDW-UHFFFAOYSA-N;FT-0746718;ethyl 2-(bis(methylthio)methyleneamino)acetate;N-(bis-(methylthio)-methylene)-glycine ethyl ester;[Bis(methylthio)methyleneamino]acetic acid ethyl ester

Chemical Property of N-[Bis(methylthio)methylene]glycine ethyl ester

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 276.289°C at 760 mmHg
• Flash Point: 120.895°C
• PSA: 89.26000
• Density: 1.151g/cm³
• LogP: 1.63150
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 207.03877100
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN=C(SC)SC

Technology Process of N-[Bis(methylthio)methylene]glycine ethyl ester

There total 4 articles about N-[Bis(methylthio)methylene]glycine ethyl ester 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: 98.0%

ethyl 2-[N-(methylthiothiocarbonyl)amino]acetate (56610-82-3) + methyl iodide (74-88-4) → dimethyl N-(ethoxycarbonylmethyl)iminodithiocarbonate (54985-61-4)

Guidance literature:

With potassium carbonate; In water; dimethyl sulfoxide; 0 deg C, 15 min., 20 deg C, 2 h;

DOI:10.1016/S0040-4039(00)61890-7

Reference yield: 80.0%

carbon disulfide (75-15-0,12122-00-8) + glycine ethyl ester hydrochloride (623-33-6) + methyl iodide (74-88-4) → dimethyl N-(ethoxycarbonylmethyl)iminodithiocarbonate (54985-61-4)

Guidance literature:

carbon disulfide; glycine ethyl ester hydrochloride; With triethylamine; In chloroform; for 1h;

methyl iodide; With potassium carbonate; In chloroform; Heating;

Reference yield: 76.0%

carbon disulfide (75-15-0,12122-00-8) + GlyOEt*HCl (459-73-4) + methyl iodide (74-88-4) → dimethyl N-(ethoxycarbonylmethyl)iminodithiocarbonate (54985-61-4)

Guidance literature:

carbon disulfide; GlyOEt*HCl; With triethylamine; In dichloromethane; at 20 ℃; for 0.5h;

methyl iodide; With triethylamine; In dichloromethane; Heating;

DOI:10.1016/S0040-4020(02)00094-7

upstream raw materials:

carbon disulfide

GlyOEt*HCl

methyl iodide

glycine ethyl ester hydrochloride

Downstream raw materials:

2-(p-Brombenzyl)-2--buttersaeure-ethylester

2-Methylsulfanyl-5-phenyl-oxazole-4-carboxylic acid ethyl ester

2-Methylsulfanyl-5-p-tolyl-oxazole-4-carboxylic acid ethyl ester

2-Methylsulfanyl-5-p-tolyl-thiazole-4-carboxylic acid