Methyl 2-[(4-nitrophenyl)sulfanyl]acetate

Base Information

• Chemical Name: Methyl 2-[(4-nitrophenyl)sulfanyl]acetate
• CAS No.: 6625-35-0
• Molecular Formula: C9H9 N O4 S
• Molecular Weight: 227.241
• NSC Number: 52409
• UNII: 17D6ECC7LL
• DSSTox Substance ID: DTXSID10984761
• Nikkaji Number: J696.248C
• Wikidata: Q82972079

Synonyms:6625-35-0;methyl 2-[(4-nitrophenyl)sulfanyl]acetate;17D6ECC7LL;(4-Nitrophenyl)thio acetic acid methyl ester;UNII-17D6ECC7LL;methyl 2-(4-nitrophenyl)sulfanylacetate;methyl 2-(4-nitrophenylthio)acetate;NSC 52409;NSC-52409;NSC52409;methyl 2-(4-nitrophenylsulfanyl)acetate;SCHEMBL5288477;DTXSID10984761;QYSYXPHEBMMRHB-UHFFFAOYSA-N;AKOS005096685;Methyl [(4-nitrophenyl)sulfanyl]acetate;5Y-0824;(4-NITRO-PHENYLSULFANYL)-ACETIC ACID METHYL ESTER;ACETIC ACID, ((4-NITROPHENYL)THIO)-, METHYL ESTER;ACETIC ACID, ((P-NITROPHENYL)THIO)-, METHYL ESTER;ACETIC ACID, 2-((4-NITROPHENYL)THIO)-, METHYL ESTER

Chemical Property of Methyl 2-[(4-nitrophenyl)sulfanyl]acetate

Chemical Property:

• Vapor Pressure: 4.08E-05mmHg at 25°C
• Boiling Point: 351.5°Cat760mmHg
• Flash Point: 166.4°C
• Density: 1.34g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 227.02522894
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Methyl 2-[(4-nitrophenyl)sulfanyl]acetate

There total 10 articles about Methyl 2-[(4-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: 98.0%

bromoacetic acid methyl ester (96-32-2) + para-nitrobenzenethiol (1849-36-1) → methyl 2-(4-nitrophenylsulfanyl)acetate (6625-35-0)

Guidance literature:

para-nitrobenzenethiol; With potassium carbonate; In N,N-dimethyl-formamide; at 0 ℃; for 0.25h;

bromoacetic acid methyl ester; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1039/c0ob00852d

Reference yield: 85.0%

Methyl thioglycolate (2365-48-2) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → methyl 2-(4-nitrophenylsulfanyl)acetate (6625-35-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1134/S1070428007080131

Reference yield: 53.0%

1-methylthio-4-nitro-benzene (701-57-5) + bromoacetic acid methyl ester (96-32-2) → methyl 2-(4-nitrophenylsulfanyl)acetate (6625-35-0)

Guidance literature:

In 2,2,2-trifluoroethanol; at 100 ℃; for 24h;

DOI:10.1021/acs.orglett.0c02089

upstream raw materials:

methanol

2-(4-nitrophenylthio)acetic acid

methyl chloroacetate

para-nitrobenzenethiol

Downstream raw materials:

methyl 2-((4-nitrophenyl)sulfonyl)acetate

potassium p-nitrobenzenesulfonate

4-[(4-nitrophenyl)sulfonyl]tetrahydro-2H-pyran-4-carboxylic acid

4-[(4-aminophenyl)sulfonyl]tetrahydro-2H-pyran-4-carboxylic acid

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