Tert-butyl 2-oxopyrrolidine-1-carboxylate

Base Information

Chemical Name:Tert-butyl 2-oxopyrrolidine-1-carboxylate
CAS No.:85909-08-6
Molecular Formula:C9H15NO3
Molecular Weight:185.223
Hs Code.:2933790090
European Community (EC) Number:617-776-7
NSC Number:662770
UNII:9GS4FVG7EW
DSSTox Substance ID:DTXSID60235235
Nikkaji Number:J920.051G
Wikidata:Q72510485
ChEMBL ID:CHEMBL1996540
Mol file:85909-08-6.mol

Synonyms:85909-08-6;tert-butyl 2-oxopyrrolidine-1-carboxylate;1-(tert-Butoxycarbonyl)-2-pyrrolidinone;N-Boc-2-pyrrolidinone;tert-Butyl 2-oxo-1-pyrrolidinecarboxylate;1-BOC-2-Pyrrolidinone;N-boc-pyrrolidone;N-Boc-2-oxopyrrolidine;1-Boc-2-oxopyrrolidine;NSC662770;9GS4FVG7EW;1-pyrrolidinecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester;1,1-dimethylethyl 2-oxo-1-pyrrolidinecarboxylate;MFCD00674099;NSC 662770;NSC-662770;2-OXO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;tert-Butyl2-oxopyrrolidine-1-carboxylate;1-(tert-Butoxycarbonyl)-2-oxopyrrolidine;1-Pyrrolidinecarboxylicacid, 2-oxo-, 1,1-dimethylethyl ester;UNII-9GS4FVG7EW;SCHEMBL205421;1-BOC-PYRROLIDIN-2-ONE;CHEMBL1996540;DTXSID60235235;BCP32535;CS-M1641;1-(t-butoxycarbonyl)-2-pyrrolidinone;AKOS015841632;N-BOC-1-AZACYCLOPENTAN-2-ONE;n-tert-butoxycarbonyl-2-oxopyrrolidine;AB06934;N-tert-Butyloxycarbonyl-2-pyrrolidinone;SS-3403;tert-butyl oxopyrrolidine-1-carboxylate;1-(tert-Butoxy)carbonyl-pyrrolidin-2-one;1-(tert-Butoxycarbonyl)pyrrolidine-2-one;AC-24502;AMY202003282;NCI60_021677;SY030188;Tert butyl-2-oxo-1-pyrrolidinecarboxylate;tert-Butyl-2-oxo-1-pyrrolidinecarboxylate;Tert.butyl-2-oxo-1-pyrrolidinecarboxylate;PYRROLIDIN-2-ONE, N-BOC PROTECTED;tert-butyl 2-oxo-pyrrolidine-1-carboxylate;CS-0181165;FT-0652511;1-(tert-Butoxycarbonyl)-2-pyrrolidinone, 97%;EN300-110323;N-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-ONE;1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-ONE;2-Oxopyrrolidine-1-carboxylic acid t-butyl ester;2-oxo-pyrrolidin-1-carboxylic acid t-butyl ester;N-(TERT-BUTYLOXYCARBONYL)PYRROLIDIN-2-ONE;J-524459;1-Pyrrolidinecarboxylicacid,2-oxo-,1,1-dimethylethylester;2-OXOPYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;Tert-butyl 2-oxopyrrolidine-1-carboxylate

Suppliers and Price of Tert-butyl 2-oxopyrrolidine-1-carboxylate

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
N-Boc-2-pyrrolidinone
1g
$ 110.00

SynQuest Laboratories
Pyrrolidin-2-one, N-Boc protected
1 g
$ 16.00

SynQuest Laboratories
Pyrrolidin-2-one, N-Boc protected
5 g
$ 37.00

SynQuest Laboratories
Pyrrolidin-2-one, N-Boc protected
25 g
$ 136.00

Sigma-Aldrich
1-(tert-Butoxycarbonyl)-2-pyrrolidinone 97%
25ml
$ 169.00

Medical Isotopes, Inc.
N-Boc-2-pyrrolidinone
1 g
$ 610.00

Matrix Scientific
tert-Butyl 2-oxopyrrolidine-1-carboxylate >95%
25g
$ 339.00

Matrix Scientific
tert-Butyl 2-oxopyrrolidine-1-carboxylate >95%
5g
$ 90.00

J&W Pharmlab
1-(Tert-butoxycarbonyl)-2-pyrrolidinone 96%
25g
$ 60.00

Crysdot
tert-Butyl2-oxopyrrolidine-1-carboxylate 95+%
10g
$ 40.00

Total 70 raw suppliers

Chemical Property of Tert-butyl 2-oxopyrrolidine-1-carboxylate

Chemical Property:

Vapor Pressure:0.000975mmHg at 25°C
Refractive Index:n20/D 1.466(lit.)
Boiling Point:302.7 °C at 760 mmHg
PKA:-2.21±0.20(Predicted)
Flash Point:136.9 °C
PSA：46.61000
Density:1.133 g/cm³
LogP:1.48180
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Solubility.:Chloroform, Methanol
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:185.10519334
Heavy Atom Count:13
Complexity:230

Purity/Quality:

99%, ^*data from raw suppliers

N-Boc-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCCC1=O
Uses N-Boc-2-pyrrolidinone is a useful synthetic intermediate. It can be used to prepare highly functionalized N-acyl-2-vinylpyrrolidines by a 4-component Ugi reaction (isocyanide, carbonyl compounds, primary amines, carboxylic acids). It can also be used to synthesize the naturally occurring Maillard flavors via catalytic SeO2 oxidation.

Technology Process of Tert-butyl 2-oxopyrrolidine-1-carboxylate

There total 2 articles about Tert-butyl 2-oxopyrrolidine-1-carboxylate 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: 74.0%

: 86953-79-9
tert-butyl pyrrolidine-1-carboxylate

: 85909-08-6
tert-butyl 2-oxopyrrolidine-1-carboxylate

Guidance literature:: With potassium carbonate; 1-(tert-butylperoxy)-1,2-benziodoxol-3(1H)-one; In benzene; at 25 ℃; for 40h;
DOI:10.1016/S0040-4039(99)01032-1

Reference yield:

: 85909-08-6
tert-butyl 2-oxopyrrolidine-1-carboxylate

: 206989-41-5
3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propane-1-amine

Guidance literature:

Reference yield: 100.0%

: 399-94-0
2-bromo-1,4-difluorobenzene

: 85909-08-6
tert-butyl 2-oxopyrrolidine-1-carboxylate

: (4-(2,5-difluorophenyl)-4-oxobutyl)carbamic acid tert-butyl ester

Guidance literature:: 2-bromo-1,4-difluorobenzene; With isopropylmagnesium chloride; In tetrahydrofuran; at -78 - 0 ℃; for 1h;

tert-butyl 2-oxopyrrolidine-1-carboxylate; In tetrahydrofuran; at -78 - 20 ℃; for 2h;