(S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

Base Information

Chemical Name:(S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate
CAS No.:1242267-80-6
Molecular Formula:C15H25N3O4
Molecular Weight:311.38
Hs Code.:2933599090
DSSTox Substance ID:DTXSID80705389
Mol file:1242267-80-6.mol

Synonyms:1242267-80-6;(S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate;(S)-Di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate;ditert-butyl (2S)-2-cyanopiperazine-1,4-dicarboxylate;DTXSID80705389;KSXCMLBJAMFZEZ-LLVKDONJSA-N;CS-M0447;AKOS022177394;CS-13203;Di-tert-butyl (2S)-2-cyanopiperazine-1,4-dicarboxylate

Suppliers and Price of (S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

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
(S)-Di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95+%
1g
$ 772.00

Crysdot
(S)-Di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95+%
250mg
$ 309.00

ChemScene
(S)-di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate
100mg
$ 279.00

Chemenu
(S)-di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95%+
1g
$ 1177.00

Chemenu
(S)-di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95%+
100mg
$ 353.00

Chemenu
(S)-di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95%+
250mg
$ 589.00

American Custom Chemicals Corporation
(S)-DI-TERT-BUTYL 2-CYANOPIPERAZINE-1,4-DICARBOXYLATE 95.00%
5MG
$ 499.49

Total 7 raw suppliers

Chemical Property of (S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

Chemical Property:

PSA：82.87000
LogP:2.24218
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:311.18450629
Heavy Atom Count:22
Complexity:481

Purity/Quality:

NLT 98% ^*data from raw suppliers

(S)-Di-tert-butyl2-cyanopiperazine-1,4-dicarboxylate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(C(C1)C#N)C(=O)OC(C)(C)C
Isomeric SMILES:CC(C)(C)OC(=O)N1CCN([C@@H](C1)C#N)C(=O)OC(C)(C)C

Technology Process of (S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

There total 3 articles about (S)-Di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate 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: 89.5%

: 927883-45-2,1438393-12-4
2-carbamoylpiperazine-1,4-dicarboxylic acid di-tert-butyl ester

: 924964-23-8,1242267-80-6
di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

Guidance literature:: With 1,3,5-trichloro-2,4,6-triazine; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

Reference yield: 66.0%

: 19158-51-1
P-toluenesulfonyl cyanide

: 76535-75-6
di-tert-butyl piperazine-1,4-dicarboxylate

: 924964-23-8,1242267-80-6
di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

Guidance literature:: With [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; (S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate; potassium carbonate; In dichloromethane; at 20 ℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;
DOI:10.1002/chem.201801746

Reference yield:

: 24424-99-5
di-tert-butyl dicarbonate

: 924964-23-8,1242267-80-6
di-tert-butyl 2-cyanopiperazine-1,4-dicarboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine; dmap / dichloromethane / 0 - 20 °C

2: (S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate; [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; potassium carbonate / dichloromethane / 20 h / 20 °C / Inert atmosphere; Sealed tube; Irradiation

With dmap; [Ir(2-(2,4-difluorophenyl)-4-(trifluoromethyl)pyridine)₂(5,5'-bis(trifluoromethyl)-2,2'-bipyridine)]PF₆; (S)-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate; potassium carbonate; triethylamine; In dichloromethane;
DOI:10.1002/chem.201801746