Modafinil Acid

Base Information

Chemical Name:Modafinil Acid
CAS No.:112111-44-1
Molecular Formula:C15H14O3S
Molecular Weight:274.34
Hs Code.:
European Community (EC) Number:691-787-5
UNII:54N37HN7N4
DSSTox Substance ID:DTXSID60979768
Nikkaji Number:J450.828I
Wikipedia:Modafinil_acid
Wikidata:Q20707039
ChEMBL ID:CHEMBL3544654
Mol file:112111-44-1.mol

Synonyms:benzyhydrylsulfinylacetic acid;CRL 40467;CRL-40467

Suppliers and Price of Modafinil 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

TRC
(S)-(+)-ModafinicAcid
25mg
$ 265.00

TRC
(S)-(+)-ModafinicAcid
250mg
$ 1595.00

Medical Isotopes, Inc.
(S)-(+)-ModafinicAcid
5 mg
$ 425.00

Crysdot
(S)-(+)-Modafinicacid 98+%
100mg
$ 618.00

Crysdot
(S)-(+)-Modafinicacid 98+%
10mg
$ 72.00

Total 6 raw suppliers

Chemical Property of Modafinil Acid

Chemical Property:

Melting Point:185-188℃
Boiling Point:539.2±50.0 °C(Predicted)
PKA:2.83±0.10(Predicted)
PSA：73.58000
Density:1.327±0.06 g/cm3(Predicted)
LogP:3.47500
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:274.06636548
Heavy Atom Count:19
Complexity:299

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-(+)-ModafinicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O
Uses (S)-(+)-Modafinic Acid is an intermediate in the synthesis of Modafinil (M482500) related compounds with neuroprotective properties.

Technology Process of Modafinil Acid

There total 10 articles about Modafinil 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: 89.0%

: 63547-22-8
(benzhydrylthio)acetic acid

: 112111-44-1
(S)-(+)-(diphenylmethanesulfinyl)acetic acid

Guidance literature:: With Beauveria bassiana ATCC-7159; In N,N-dimethyl-formamide; at 28 ℃;
DOI:10.1016/j.tetasy.2005.07.028

Reference yield: 87.0%

: 827603-88-3
2-((S)-Diphenyl-methanesulfinyl)-1-((R)-4-phenyl-2-thioxo-thiazolidin-3-yl)-ethanone

: 112111-44-1
(S)-(+)-(diphenylmethanesulfinyl)acetic acid

Guidance literature:: With lithium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃;
DOI:10.1016/j.tetasy.2004.10.019

Reference yield: 84.0%

: Δ-[Ru(2,2-bipyridine)₂((diphenylmethanesulfinyl)acetic acid-H)](PF₆)

: 112111-44-1
(S)-(+)-(diphenylmethanesulfinyl)acetic acid

Guidance literature:: With trifluoroacetic acid; In acetonitrile; at 60 ℃; for 3h; enantioselective reaction; Inert atmosphere;
DOI:10.1002/ejic.201500617