tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Base Information

Chemical Name:tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
CAS No.:113775-22-7
Molecular Formula:C₁₀H₁₅NO₄
Molecular Weight:213.233
Hs Code.:2933998090
European Community (EC) Number:812-042-4
DSSTox Substance ID:DTXSID30460173
Nikkaji Number:J1.662.202H
Wikidata:Q82284126
Mol file:113775-22-7.mol

Synonyms:113775-22-7;Boc-4-Hydroxy-L-Pyrrolidine Lactone;(1S,4S)-tert-Butyl 3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo-[2.2.1]heptane-5-carboxylate;2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester, (1S,4S)-;MFCD06797016;LRUFZHMJIBJMPC-BQBZGAKWSA-N;SCHEMBL116397;Boc-4-Hydroxy-L-Proline Lactone;DTXSID30460173;BCP16407;(1S,4S)-tert-Butyl3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;AKOS015841260;GS-3672;CS-0159127;N-Boc-4-hydroxy-L-pyrrolidine lactone, 97%;EN300-234962;A803091;J-500357;W-204819;tert-Butyl-(1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate;(1S,4S)-3-oxo-2-oxa-5-aza-bicyclo[2.2.1]heptan-5-carboxylic acid tert-butyl ester;(1S,4S)-3-Oxo-2-oxa-5-aza-bicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl ester;2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylicacid,3-oxo-,1,1-dimethylethyl ester,(1S,4S)-

Suppliers and Price of tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-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
Boc-4-Hydroxy-L-pyrrolidineLactone
100mg
$ 70.00

Sigma-Aldrich
N-Boc-4-hydroxy-L-pyrrolidine lactone 97%
1g
$ 262.00

Sigma-Aldrich
N-Boc-4-hydroxy-L-pyrrolidine lactone 97%
5g
$ 425.00

Sigma-Aldrich
N-Boc-4-hydroxy-L-pyrrolidine lactone 97%
25g
$ 1110.00

Matrix Scientific
(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo-[2.2.1]heptane-5-carboxylate 97+%
5g
$ 1571.00

Matrix Scientific
(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo-[2.2.1]heptane-5-carboxylate 97+%
25g
$ 4100.00

Matrix Scientific
(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo-[2.2.1]heptane-5-carboxylate 97+%
1g
$ 530.00

Crysdot
(1S,4S)-tert-Butyl3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate 97%
5g
$ 280.00

Chemenu
(1S,4S)-tert-Butyl-3-oxo-2-oxa-5-azabicyclo-[2.2.1]heptane-5-carboxylate 97%
5g
$ 262.00

Biosynth Carbosynth
N-tert-BOC-4-hydroxy-L-pyrrolidine lactone
5 g
$ 275.00

Total 30 raw suppliers

Chemical Property of tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Chemical Property:

Vapor Pressure:4.63E-05mmHg at 25°C
Melting Point:109-114°C
Boiling Point:349.7°C at 760 mmHg
PKA:-1.25±0.20(Predicted)
Flash Point:165.3°C
PSA：55.84000
Density:1.246g/cm³
LogP:0.85910
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:213.10010796
Heavy Atom Count:15
Complexity:307

Purity/Quality:

97% ^*data from raw suppliers

Boc-4-Hydroxy-L-pyrrolidineLactone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CC2CC1C(=O)O2
Isomeric SMILES:CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C(=O)O2

Technology Process of tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

There total 10 articles about tert-butyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-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: 97.0%

: 13726-69-7,946610-68-0
(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

: 87250-97-3,113775-22-7
2’-methyl-2’-propanyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Guidance literature:: With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 20h;
DOI:10.1016/j.bmc.2007.01.001

Reference yield: 62.0%

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

: 51-35-4,30724-02-8
4R-4-hydroxyproline

: 87250-97-3,113775-22-7
2’-methyl-2’-propanyl (1S,4S)-3-oxo-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate

Guidance literature:: di-tert-butyl dicarbonate; 4R-4-hydroxyproline; With potassium carbonate; In 1,4-dioxane; at 0 - 20 ℃; for 8h;

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 ℃; for 4h;
DOI:10.1002/anie.200903477