Acetyl-Cys(dodecyl) chloromethyl ketone

Base Information

Chemical Name:Acetyl-Cys(dodecyl) chloromethyl ketone
CAS No.:253589-60-5
Molecular Formula:C₁₈H₃₄ClNO₂S
Molecular Weight:363.992
Hs Code.:
DSSTox Substance ID:DTXSID50432059
Nikkaji Number:J1.264.817K
Wikidata:Q82246129
ChEMBL ID:CHEMBL540205
Mol file:253589-60-5.mol

Synonyms:Acetyl-Cys(dodecyl) chloromethyl ketone;253589-60-5;N-[(2R)-4-chloro-1-dodecylsulfanyl-3-oxobutan-2-yl]acetamide;CHEMBL540205;DTXSID50432059;Acetyl-cys(dodecyl)chloromethyl ketone;J-015953;Acetyl-Cys(dodecyl) chloromethyl ketone, >=90% (HPLC), solid;N-[(R)-1-(Dodecylthiomethyl)-2-oxo-3-chloropropyl]acetamide

Suppliers and Price of Acetyl-Cys(dodecyl) chloromethyl ketone

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

Crysdot
(R)-N-(4-Chloro-1-(dodecylthio)-3-oxobutan-2-yl)acetamide 97%
5g
$ 698.00

Biosynth Carbosynth
Ac-Cys(dodecyl)-chloromethylketone
50 mg
$ 163.00

Biosynth Carbosynth
Ac-Cys(dodecyl)-chloromethylketone
1 g
$ 1710.00

Biosynth Carbosynth
Ac-Cys(dodecyl)-chloromethylketone
500 mg
$ 985.00

Biosynth Carbosynth
Ac-Cys(dodecyl)-chloromethylketone
250 mg
$ 565.00

Biosynth Carbosynth
Ac-Cys(dodecyl)-chloromethylketone
100 mg
$ 283.00

AK Scientific
Ac-Cys(dodecyl)-chloromethylketone
50mg
$ 270.00

Total 4 raw suppliers

Chemical Property of Acetyl-Cys(dodecyl) chloromethyl ketone

Chemical Property:

Boiling Point:517.6±50.0 °C(Predicted)
PKA:14.10±0.46(Predicted)
PSA：74.96000
Density:1.026±0.06 g/cm3(Predicted)
LogP:5.79340
Storage Temp.:−20°C
XLogP3:6.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:16
Exact Mass:363.1998782
Heavy Atom Count:23
Complexity:313

Purity/Quality:

99% ^*data from raw suppliers

(R)-N-(4-Chloro-1-(dodecylthio)-3-oxobutan-2-yl)acetamide 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCSCC(C(=O)CCl)NC(=O)C
Isomeric SMILES:CCCCCCCCCCCCSC[C@@H](C(=O)CCl)NC(=O)C

Technology Process of Acetyl-Cys(dodecyl) chloromethyl ketone

There total 5 articles about Acetyl-Cys(dodecyl) chloromethyl ketone 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:

: 253871-55-5
N-(3-diazo-1-dodecylsulfanylmethyl-2-oxo-propyl)-acetamide

: 253589-60-5
DDE 131

Guidance literature:: With hydrogenchloride; In ethyl acetate; at 0 ℃;
DOI:10.1016/S0960-894X(00)00047-0

Reference yield:

: 616-91-1,7696-05-1
N-acetylcystein

: 253589-60-5
DDE 131

Guidance literature:: Multi-step reaction with 4 steps

1: NH₃ / methanol; ethyl acetate

2: NMM / tetrahydrofuran / -78 °C

3: diethyl ether

4: HCl / ethyl acetate / 0 °C

With 4-methyl-morpholine; hydrogenchloride; ammonia; In tetrahydrofuran; methanol; diethyl ether; ethyl acetate; 1: Alkylation / 2: Condensation / 3: Substitution / 4: Elimination;
DOI:10.1016/S0960-894X(00)00047-0

Reference yield:

: 143-15-7
1-dodecylbromide

: 253589-60-5
DDE 131

Guidance literature:: Multi-step reaction with 4 steps

1: NH₃ / methanol; ethyl acetate

2: NMM / tetrahydrofuran / -78 °C

3: diethyl ether

4: HCl / ethyl acetate / 0 °C

With 4-methyl-morpholine; hydrogenchloride; ammonia; In tetrahydrofuran; methanol; diethyl ether; ethyl acetate; 1: Alkylation / 2: Condensation / 3: Substitution / 4: Elimination;
DOI:10.1016/S0960-894X(00)00047-0