Tert-butyl 2-sulfanylacetate

Base Information

Chemical Name:Tert-butyl 2-sulfanylacetate
CAS No.:20291-99-0
Molecular Formula:C6H12O2S
Molecular Weight:148.226
Hs Code.:
European Community (EC) Number:817-741-8
DSSTox Substance ID:DTXSID301347658
Nikkaji Number:J512.383F

Synonyms:Tert-butyl 2-sulfanylacetate;20291-99-0;tert-butyl 2-mercaptoacetate;1,1-dimethylethyl mercaptoacetate;tert-butyl thioglycolate;t-butyl 2-mercaptoacetate;t-Butyl 2-sulfanylacetate;tert-butyl2-mercaptoacetate;SCHEMBL1186918;thioglycolic acid tert-butyl ester;YXIMCNGUIIEJMO-UHFFFAOYSA-N;DTXSID301347658;2-Methyl-2-propanyl sulfanylacetate;MFCD25960778;Mercapto-acetic acid tert-butyl ester;AKOS037648471;BS-13182;EN300-139188

Suppliers and Price of Tert-butyl 2-sulfanylacetate

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

AK Scientific
Tert-butyl2-sulfanylacetate
1g
$ 483.00

TRC
tert-Butyl2-Sulfanylacetate
50mg
$ 130.00

TRC
tert-Butyl2-Sulfanylacetate
100mg
$ 220.00

Total 17 raw suppliers

Chemical Property of Tert-butyl 2-sulfanylacetate

Chemical Property:

Boiling Point:31-32 °C(Press: 11 Torr)
PSA：65.10000
Density:1.021±0.06 g/cm3(Predicted)
LogP:1.25790
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:148.05580079
Heavy Atom Count:9
Complexity:104

Purity/Quality:

97% ^*data from raw suppliers

Tert-butyl2-sulfanylacetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)CS
Uses tert-Butyl 2-Sulfanylacetate is a useful reagent in the synthesis of enantiopure thioester (R)-2-(2-benzamidopropanoylthio)acetic; a key substrate for screening sensitivity of penicillin binding proteins to inhibitors.

Technology Process of Tert-butyl 2-sulfanylacetate

There total 5 articles about Tert-butyl 2-sulfanylacetate 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: 68.0%

: 27240-57-9
O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate

: 20291-99-0
t-butyl mercaptoacetate

Guidance literature:: With triethylamine; for 2h; Ambient temperature;
DOI:10.1021/jo00366a010

Reference yield: 53.0%

: 5292-43-3
bromoacetic acid tert-butyl ester

: 20291-99-0
t-butyl mercaptoacetate

Guidance literature:: bromoacetic acid tert-butyl ester; With potassium ethyl xanthogenate; In ethanol; at 0 - 20 ℃; for 15h;

With ethanolamine; at 0 - 20 ℃; for 2h;
DOI:10.3998/ark.5550190.p009.621

Reference yield:

: 107-59-5
tert-Butyl chloroacetate

: 20291-99-0
t-butyl mercaptoacetate

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / acetone

2: 34 percent / ethanolamine

With ethanolamine; In acetone;
DOI:10.1021/jm060247s