[(2-Nitrophenyl)sulfanyl]acetate

Base Information

• Chemical Name: [(2-Nitrophenyl)sulfanyl]acetate
• CAS No.: 6375-65-1
• Molecular Formula: C8H7 N O4 S
• Molecular Weight: 213.214
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40980271
• Wikidata: Q82966177
• Mol file: 6375-65-1.mol

Synonyms:[(2-Nitrophenyl)sulfanyl]acetate;DTXSID40980271

Chemical Property of [(2-Nitrophenyl)sulfanyl]acetate

Chemical Property:

• Vapor Pressure: 8.39E-07mmHg at 25°C
• Boiling Point: 390.6°C at 760 mmHg
• Flash Point: 190.1°C
• PSA: 111.25000
• LogP: 0.96000
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 212.00175385
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99.3% ^*data from raw suppliers

2-((2-Nitrophenyl)thio)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)[O-]

Technology Process of [(2-Nitrophenyl)sulfanyl]acetate

There total 13 articles about [(2-Nitrophenyl)sulfanyl]acetate 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: 84.0%

mercaptoacetic acid (68-11-1) + 2-Chloronitrobenzene (88-73-3) → (2-nitro-phenylsulfanyl)-acetic acid (6375-65-1)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1002/(SICI)1521-4184(19991)332:1<19::AID-ARDP19>3.0.CO;2-M

Reference yield:

(6S)-N-(2-amino-4,5,6,7-tetrahydrobenzothiazole-6-yl)-2-nitro-N-propylbenzenesulfonamide (1046124-81-5) + mercaptoacetic acid (68-11-1) → (2-nitro-phenylsulfanyl)-acetic acid (6375-65-1) + pramipexole (104632-26-0)

Guidance literature:

mercaptoacetic acid; With lithium hydroxide; In ethanol; at 25 ℃; for 0.75h;

(6S)-N-(2-amino-4,5,6,7-tetrahydrobenzothiazole-6-yl)-2-nitro-N-propylbenzenesulfonamide; In ethanol; at 50 ℃; for 4h; Inert atmosphere;

DOI:10.1021/op1000989

Reference yield:

3-Hydroxy-3-(4-methoxy-phenyl)-2-(2-nitro-phenylsulfanyl)-propionic acid methyl ester (96994-48-8) → (2-nitro-phenylsulfanyl)-acetic acid (6375-65-1) + 4-methoxy-benzaldehyde (123-11-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Ambient temperature;

upstream raw materials:

(2-nitrophenylthio)acetonitrile

mercaptoacetic acid

2-Chloronitrobenzene

o-nitrothiophenol

Downstream raw materials:

1,3-Benzothiazole

2H-1,4-benzothiazin-3-one

<(2-Nitro-phenyl)sulfonyl>essigsaeure

2-aminophenylthioacetic acid