Methyl (2-hydroxyethyl)carbamodithioate

Base Information

• Chemical Name: Methyl (2-hydroxyethyl)carbamodithioate
• CAS No.: 56158-48-6
• Molecular Formula: C4H9NOS2
• Molecular Weight: 151.254
• DSSTox Substance ID: DTXSID30534106
• Wikidata: Q82407761
• Mol file: 56158-48-6.mol

Synonyms:56158-48-6;Methyl (2-hydroxyethyl)carbamodithioate;N-(2-Hydroxyethyl)carbamodithioic Acid Methyl Ester;methyl N-(2-hydroxyethyl)carbamodithioate;starbld0005953;SCHEMBL11010940;DTXSID30534106;GJUIUIJPXQCMFE-UHFFFAOYSA-N;methyl N-(2-hydroxyethyl)dithiocarbamate;N-(2-hydroxyethyl)dithiocarbamic acid methyl ester

Chemical Property of Methyl (2-hydroxyethyl)carbamodithioate

Chemical Property:

• PSA: 96.69000
• LogP: 0.62750
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 151.01255626
• Heavy Atom Count: 8
• Complexity: 76.4

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Hydroxyethyl)carbamodithioicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=S)NCCO
• Uses: N-(2-Hydroxyethyl)carbamodithioic Acid Methyl Ester is an intermediate used in the synthesis of oxacephem antibiotics.

Technology Process of Methyl (2-hydroxyethyl)carbamodithioate

There total 1 articles about Methyl (2-hydroxyethyl)carbamodithioate 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: 68.0%

carbon disulfide (75-15-0,12122-00-8) + ethanolamine (141-43-5) + methyl iodide (74-88-4) → (2-hydroxy-ethyl)-dithiocarbamic acid methyl ester (56158-48-6)

Guidance literature:

carbon disulfide; ethanolamine; With triethylamine; In dichloromethane; at 0 ℃; for 0.25h;

methyl iodide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/jm501635e

Reference yield:

(2-hydroxy-ethyl)-dithiocarbamic acid methyl ester (56158-48-6) → 1-(2-hydroxyethyl)-5-mercapto-1H-tetrazole (56610-81-2)

Guidance literature:

With sodium azide; In ethanol; at 70 ℃; for 3h;

DOI:10.1016/S0960-894X(00)00253-5

Reference yield:

(2-hydroxy-ethyl)-dithiocarbamic acid methyl ester (56158-48-6) → 2-methylsulfanyl-4,5-dihydrothiazoline (19975-56-5)

Guidance literature:

DOI:10.1021/jo01060a020

upstream raw materials:

carbon disulfide

ethanolamine

methyl iodide

Downstream raw materials:

2-methylsulfanyl-4,5-dihydrothiazoline

1-(2-hydroxyethyl)-5-mercapto-1H-tetrazole

Refernces