3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-carboxylate

Base Information

Chemical Name:3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-carboxylate
CAS No.:198402-59-4
Molecular Formula:C8H13BrO2
Molecular Weight:237.25000
Hs Code.:
DSSTox Substance ID:DTXSID60695456
Mol file:198402-59-4.mol

Synonyms:DTXSID60695456;3-ethyl-5-(4-fluorophenyl)pyrazolidine-4-carboxylate

Suppliers and Price of 3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-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

American Custom Chemicals Corporation
(S)-4,5-ISOPROPYLIDENE-2-PENTENYLBROMIDE 98.00%
5MG
$ 499.80

Total 2 raw suppliers

Chemical Property of 3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-carboxylate

Chemical Property:

Vapor Pressure:2.25E-07mmHg at 25°C
Boiling Point:423.3oC at 760 mmHg
Flash Point:209.8oC
PSA：64.19000
Density:1.266g/cm3
LogP:0.77690
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:237.10393086
Heavy Atom Count:17
Complexity:274

Purity/Quality:

99% ^*data from raw suppliers

(S)-4,5-ISOPROPYLIDENE-2-PENTENYLBROMIDE 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1C(C(NN1)C2=CC=C(C=C2)F)C(=O)[O-]

Technology Process of 3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-carboxylate

There total 4 articles about 3-Ethyl-5-(4-fluorophenyl)pyrazolidine-4-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: 93.0%

: 79060-23-4
(2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol

: 198402-59-4
(S,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane

Guidance literature:: With N-Bromosuccinimide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃;
DOI:10.1039/c3ob41580e

Reference yield:

: 1707-77-3
1,2:5,6-di-O-isopropylidene-D-mannitol

: 198402-59-4
(S,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane

Guidance literature:: Multi-step reaction with 4 steps

1: sodium periodate; sodium hydrogencarbonate / methanol; water / 0 - 20 °C

2: potassium carbonate / water / 0 - 20 °C

3: diisobutylaluminium hydride / dichloromethane / -78 °C

4: N-Bromosuccinimide; triphenylphosphine / dichloromethane / 0 - 20 °C

With sodium periodate; N-Bromosuccinimide; diisobutylaluminium hydride; sodium hydrogencarbonate; potassium carbonate; triphenylphosphine; In methanol; dichloromethane; water; 2: |Wittig-Horner Reaction;
DOI:10.1039/c3ob41580e

Reference yield:

: 64520-58-7,917877-01-1
ethyl (E)-3-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)acrylate

: 198402-59-4
(S,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane

Guidance literature:: Multi-step reaction with 2 steps

1: diisobutylaluminium hydride / dichloromethane / -78 °C

2: N-Bromosuccinimide; triphenylphosphine / dichloromethane / 0 - 20 °C

With N-Bromosuccinimide; diisobutylaluminium hydride; triphenylphosphine; In dichloromethane;
DOI:10.1039/c3ob41580e