Tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate

Base Information

Chemical Name:Tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate
CAS No.:73286-71-2
Molecular Formula:C9H15 N O2
Molecular Weight:169.224
Hs Code.:2933990090
European Community (EC) Number:676-093-2
DSSTox Substance ID:DTXSID00445634
Nikkaji Number:J741.570B
Wikidata:Q72449157
Mol file:73286-71-2.mol

Synonyms:73286-71-2;tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate;1-N-Boc-2,3-dihydro-pyrrole;N-Boc-2-pyrroline;N-BOC-PYRROLINE;1-Boc-2,3-dihydropyrrole;Tert-butyl 2,3-dihydropyrrole-1-carboxylate;N-Boc-2,3-dihydro-1H-pyrrole;1-n-boc-2,3-dihydropyrrole;MFCD03839942;1H-PYRROLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER;N-Boc pyrroline;1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-pyrrole;SCHEMBL1601359;DTXSID00445634;DCVICHWBECIALB-UHFFFAOYSA-N;BCP24357;1-(tert-Butoxycarbonyl)-2-pyrroline;AKOS015898294;PB34065;N-Boc-2,3-dihydro-1H-pyrrole, 95%;1-?N-?Boc-?2,?3-?dihydro-?pyrrole;AM804294;AS-38536;SY014718;N-(tert-butoxycarbonyl)-2,3-dihydropyrrole;CS-0038328;EN300-101013

Suppliers and Price of Tert-butyl 2,3-dihydro-1h-pyrrole-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
1-N-Boc-2,3-dihydro-pyrrole
100mg
$ 60.00

SynQuest Laboratories
tert-Butyl 2,3-dihydro-1H-pyrrole-1-carboxylate 98%
5 g
$ 706.00

SynQuest Laboratories
tert-Butyl 2,3-dihydro-1H-pyrrole-1-carboxylate 98%
250 mg
$ 50.00

SynQuest Laboratories
tert-Butyl 2,3-dihydro-1H-pyrrole-1-carboxylate 98%
1 g
$ 227.00

Sigma-Aldrich
N-Boc-2,3-dihydro-1H-pyrrole 95%
1g
$ 112.00

JR MediChem
tert-Butyl2,3-dihydro-1H-pyrrole-1-carboxylate 98%
1kg
$ 4980.00

JR MediChem
tert-Butyl2,3-dihydro-1H-pyrrole-1-carboxylate 98%
500g
$ 2480.00

JR MediChem
tert-Butyl2,3-dihydro-1H-pyrrole-1-carboxylate 98%
100g
$ 680.00

Crysdot
tert-Butyl2,3-dihydro-1H-pyrrole-1-carboxylate 95+%
1g
$ 95.00

Crysdot
tert-Butyl2,3-dihydro-1H-pyrrole-1-carboxylate 95+%
5g
$ 230.00

Total 49 raw suppliers

Chemical Property of Tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate

Chemical Property:

Refractive Index:1.468
Boiling Point:232.7±23.0 °C(Predicted)
PKA:-0.57±0.20(Predicted)
Flash Point:85℃
PSA：29.54000
Density:0.980
LogP:2.07880
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:169.110278721
Heavy Atom Count:12
Complexity:203

Purity/Quality:

97% ^*data from raw suppliers

1-N-Boc-2,3-dihydro-pyrrole ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,N
Hazard Codes:T,N
Statements: 25-36/37/38-50
Safety Statements: 26-45-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCC=C1

Technology Process of Tert-butyl 2,3-dihydro-1h-pyrrole-1-carboxylate

There total 3 articles about Tert-butyl 2,3-dihydro-1h-pyrrole-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: 87.0%

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

: 73286-71-2
N-(tert-butoxycarbonyl)-2,3-dihydropyrrole

Guidance literature:: With manganese(III)-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin chloride; [bis(acetoxy)iodo]benzene; In acetonitrile; at 50 ℃; for 2h;
DOI:10.1021/acscatal.9b03457

Reference yield:

: 1234576-81-8,774234-25-2
3-iodo-pyrrolidine-1-carboxylic acid tert-butyl ester

: 73286-70-1
N-(tert-butoxycarbonyl)-3-pyrroline

: 73286-71-2
N-(tert-butoxycarbonyl)-2,3-dihydropyrrole

Guidance literature:: With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; [CoCl₂(dmgH)2(pyridine)]; potassium carbonate; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 16h; Reagent/catalyst; Temperature; Wavelength; Overall yield = 100 percentSpectr.; regioselective reaction; Inert atmosphere; Sealed tube; Irradiation;
DOI:10.1021/jacs.1c06768

Reference yield:

: 656-65-5
3-fluoro-4-bromophenylamine

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

: 1034497-93-2
3-(4-amino-2-fluorophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester

: 1034497-91-0
(R)-2-(4-amino-2-fluorophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester

: (S)-2-(4-amino-2-fluorophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester

: 73286-71-2
N-(tert-butoxycarbonyl)-2,3-dihydropyrrole

Guidance literature:: tert-butyl pyrrolidine-1-carboxylate; With sec.-butyllithium; (-)-sparteine; at -72 ℃; for 2.5h;

With zinc(II) chloride; In diethyl ether; at -65 - 13 ℃;

3-fluoro-4-bromophenylamine; With tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate; In diethyl ether; at 20 ℃; for 15h; Further stages. Further byproducts.;
DOI:10.1021/jo8006804