(S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine

Base Information

Chemical Name:(S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine
CAS No.:952490-84-5
Molecular Formula:C₁₁H₁₃ClN₂O₃
Molecular Weight:256.689
Hs Code.:
DSSTox Substance ID:DTXSID901224575

Synonyms:SCHEMBL4362945;OBACVTHHPHCMBF-QMMMGPOBSA-N;DTXSID901224575;(2S)-2-[(2-chloro-5-nitrophenoxy)methyl]pyrrolidine;(S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine;952490-84-5

Suppliers and Price of (S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:256.0614700
Heavy Atom Count:17
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(NC1)COC2=C(C=CC(=C2)[N+](=O)[O-])Cl
Isomeric SMILES:C1C[C@H](NC1)COC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Technology Process of (S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine

There total 3 articles about (S)-2-(2-Chloro-5-nitro-phenoxymethyl)-pyrrolidine 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:

: 884342-72-7
(S)-2-(2-chloro-5-nitro-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

: 952490-84-5
(S)-2-(2-chloro-5-nitro-phenoxymethyl)-pyrrolidine

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 3h;
DOI:10.1021/jm070034i

Reference yield:

: 1009-36-5
2-chloro-5-nitroanisole

: 952490-84-5
(S)-2-(2-chloro-5-nitro-phenoxymethyl)-pyrrolidine

Guidance literature:: Multi-step reaction with 3 steps

1: HBr; acetic acid / 18 h / 140 °C

2: 8.94 g / triphenylphosphine; DIAD / tetrahydrofuran / 18 h / 20 °C

3: TFA / CH₂Cl₂ / 3 h

With di-isopropyl azodicarboxylate; hydrogen bromide; acetic acid; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; 2: Mitsunobu reaction;
DOI:10.1021/jm070034i

Reference yield:

: 619-10-3
5-nitro-2-chlorophenol

: 952490-84-5
(S)-2-(2-chloro-5-nitro-phenoxymethyl)-pyrrolidine

Guidance literature:: Multi-step reaction with 2 steps

1: 8.94 g / triphenylphosphine; DIAD / tetrahydrofuran / 18 h / 20 °C

2: TFA / CH₂Cl₂ / 3 h

With di-isopropyl azodicarboxylate; triphenylphosphine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; 1: Mitsunobu reaction;
DOI:10.1021/jm070034i