[(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid

Base Information

Chemical Name:[(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid
CAS No.:6325-58-2
Molecular Formula:C13H10O4S
Molecular Weight:262.286
Hs Code.:
NSC Number:30982
DSSTox Substance ID:DTXSID20979289
Wikidata:Q82964891
ChEMBL ID:CHEMBL491218

Synonyms:CHEMBL491218;6325-58-2;[(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid;NSC30982;SCHEMBL2599362;DTXSID20979289;BDBM50264094;NSC-30982;2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylthio)acetic acid;(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-acetic acid

Suppliers and Price of [(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of [(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid

Chemical Property:

Vapor Pressure:1.93E-09mmHg at 25°C
Boiling Point:464.8°C at 760 mmHg
Flash Point:234.9°C
Density:1.44g/cm³
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:262.02997997
Heavy Atom Count:18
Complexity:438

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC(=O)O

Technology Process of [(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]acetic acid

There total 7 articles about [(3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-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: 71.0%

: hydroxythioacetic acid

: 58-27-5,34524-96-4
menadione

: 6325-58-2
3-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid

Guidance literature:: In methanol; at 20 ℃; for 14h;
DOI:10.1007/s10870-011-0024-8

Reference yield: 63.0%

: 58-27-5,34524-96-4
menadione

: 68-11-1
mercaptoacetic acid

: 6325-58-2
3-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In diethyl ether;
DOI:10.1016/j.bmcl.2014.04.080

Reference yield:

: 3090-46-8
2-methyl-5,8-dihydro-1,4-naphthalenediol

: 6325-58-2
3-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid

Guidance literature:: Multi-step reaction with 4 steps

1: diethyl ether; acetic acid; bromine

2: NaI; K₂cr2O₇; aqueous H₂SO₄

3: CrO₃; acetic acid

4: Behandeln des Reaktionsprodukts mit Ag₂O und MgSO₄ in Aether

With chromium(VI) oxide; potassium dichromate; diethyl ether; sulfuric acid; bromine; acetic acid; sodium iodide;