[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid

Base Information

• Chemical Name: [(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid
• CAS No.: 71370-42-8
• Molecular Formula: C₆H₈N₂O₂S
• Molecular Weight: 172.208
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID60356156
• Wikidata: Q82135364
• Mol file: 71370-42-8.mol

Synonyms:71370-42-8;[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid;2-(1-methyl-1H-imidazol-2-ylthio)acetic acid;2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid;2-(1-methylimidazol-2-yl)sulfanylacetic acid;2-((1-Methyl-1H-imidazol-2-yl)thio)acetic acid;[(1-methyl-1H-imidazol-2-yl)thio]acetic acid;AN-967/25120031;SCHEMBL3764555;DTXSID60356156;MFCD02257972;STK508316;AKOS000150476;SS-3993;CS-0251612;FT-0681841;EN300-55363;2-((1-Methyl-1H-imidazol-2-yl)thio)aceticacid;A866454;J-505188;Z55903471;F1999-0013;[(1-Methyl-1H-imidazol-2-yl)sulfanyl]acetic acid, AldrichCPR

Chemical Property of [(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid

Chemical Property:

• Vapor Pressure: 1.59E-06mmHg at 25°C
• Boiling Point: 382.2°C at 760 mmHg
• Flash Point: 185°C
• PSA: 80.42000
• Density: 1.38g/cm³
• LogP: 0.59680
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 172.03064868
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

[(1-methyl-1H-imidazol-2-yl)thio]aceticacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CN=C1SCC(=O)O

Technology Process of [(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid

There total 4 articles about [(1-methyl-1H-imidazol-2-yl)sulfanyl]acetic acid 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:

[(1-methyl-2-imidazolyl)thio]acetic acid ethyl ester (164979-73-1) → 1-Methylimidazol-2-yl)thioglycolsaeure (71370-42-8)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; dichloromethane;

Reference yield:

bromoacetic acid (79-08-3) + 2-Mercapto-1-methylimidazole (60-56-0) → 1-Methylimidazol-2-yl)thioglycolsaeure (71370-42-8)

Guidance literature:

2-Mercapto-1-methylimidazole; With sodium hydride; In tetrahydrofuran; Cooling with ice-bath;

bromoacetic acid; In tetrahydrofuran;

DOI:10.1002/jccs.201190007

Reference yield:

1-methyl-1,3-dihydro-imidazole-2-thione (60-56-0,223768-14-7,4708-61-6) + chloroacetic acid (79-11-8) → 1-Methylimidazol-2-yl)thioglycolsaeure (71370-42-8)

Guidance literature:

With water;

DOI:10.1039/jr9560000361

upstream raw materials:

1-methyl-1,3-dihydro-imidazole-2-thione

chloroacetic acid

[(1-methyl-2-imidazolyl)thio]acetic acid ethyl ester

bromoacetic acid