(S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

Base Information

Chemical Name:(S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate
CAS No.:174213-51-5
Molecular Formula:C16H23 N O3
Molecular Weight:277.364
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40442864
Wikidata:Q82260418
Mol file:174213-51-5.mol

Synonyms:174213-51-5;(S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate;Tert-butyl (2S)-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(S)-(+)-N-Boc-2-Phenoxymethylpyrrolidine;SCHEMBL938053;DTXSID40442864;HNDZHKHZJFMDRO-ZDUSSCGKSA-N;(2S)-2-(Phenoxymethyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester;AKOS015891463;(S)-1-BOC-2-(phenoxymethyl)pyrrolidine;N-t-Butoxycarbonyl-2(S)-phenoxymethylpyrrolidine;(S)-tert-Butyl2-(phenoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (S)-2-(phenoxymethyl)pyrrolidine-1-carboxylate;(S)-2-phenoxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

Suppliers and Price of (S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-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

Crysdot
(S)-tert-Butyl2-(phenoxymethyl)pyrrolidine-1-carboxylate 95+%
1g
$ 510.00

Chemenu
tert-butyl(S)-2-(phenoxymethyl)pyrrolidine-1-carboxylate 95%
1g
$ 482.00

Total 5 raw suppliers

Chemical Property of (S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:373.73oC at 760 mmHg
Flash Point:179.826oC
PSA：38.77000
Density:1.082g/cm3
LogP:3.40280
Storage Temp.:2-8°C
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:277.16779360
Heavy Atom Count:20
Complexity:318

Purity/Quality:

99% ^*data from raw suppliers

(S)-tert-Butyl2-(phenoxymethyl)pyrrolidine-1-carboxylate 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)N1CCCC1COC2=CC=CC=C2
Isomeric SMILES:CC(C)(C)OC(=O)N1CCC[C@H]1COC2=CC=CC=C2

Technology Process of (S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

There total 10 articles about (S)-tert-Butyl 2-(phenoxymethyl)pyrrolidine-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: 78.0%

: 86661-32-7
(S)-tert-butyl 2-((tosyloxy)methyl)pyrrolidine-1-carboxylate

: 108-95-2,27073-41-2
phenol

: 174213-51-5
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

Guidance literature:: phenol; With sodium hydride; In tetrahydrofuran; at 0 ℃; for 0.5h;

(S)-tert-butyl 2-((tosyloxy)methyl)pyrrolidine-1-carboxylate; In tetrahydrofuran; for 12h; Heating;
DOI:10.1021/jm051217c

Reference yield:

: 69610-40-8
N-(tert-butoxycarbonyl)-L-prolinol

: 108-95-2,27073-41-2
phenol

: 174213-51-5
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

Guidance literature:: DOI:10.1016/0960-894X(96)00416-7

Reference yield:

: 69610-40-8
N-(tert-butoxycarbonyl)-L-prolinol

: 174213-51-5
(S)-tert-butyl 2-(phenoxymethyl)pyrrolidine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 70 percent / pyridine / CH₂Cl₂ / 16 h / 20 °C

2.1: NaH / tetrahydrofuran / 0.5 h / 0 °C

2.2: 78 percent / tetrahydrofuran / 12 h / Heating

With pyridine; sodium hydride; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm051217c