(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate

Base Information

Chemical Name:(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate
CAS No.:426844-76-0
Molecular Formula:C10H15FN2O2
Molecular Weight:214.24
Hs Code.:2933998090
European Community (EC) Number:677-862-5
DSSTox Substance ID:DTXSID90594009
Nikkaji Number:J2.327.236I
Wikidata:Q72448945
Mol file:426844-76-0.mol

Synonyms:426844-76-0;(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate;(2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine;1-Boc-(2S,4S)-2-cyano-4-fluoropyrrolidine;tert-butyl (2s,4s)-2-cyano-4-fluoropyrrolidine-1-carboxylate;MFCD09263600;N-Boc-cis-4-fluoro-L-prolinonitrile;SCHEMBL3393660;DTXSID90594009;QAKRZINKSNCLEV-YUMQZZPRSA-N;AMY19364;AKOS015904630;DS-16681;CS-0039844;A872836;N-t-BOC-cis-4-Fluoro-L-prolinonitrile, AldrichCPR;(2S,4S)-tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate;1-tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate

Suppliers and Price of (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-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
(2S,4S)-tert-Butyl2-Cyano-4-fluoropyrrolidine-1-carboxylate
100mg
$ 65.00

TRC
(2S,4S)-tert-Butyl2-Cyano-4-fluoropyrrolidine-1-carboxylate
50mg
$ 45.00

SynQuest Laboratories
N-Boc-cis-4-fluoro-L-prolinonitrile
250 mg
$ 120.00

SynQuest Laboratories
N-Boc-cis-4-fluoro-L-prolinonitrile
1 g
$ 360.00

Matrix Scientific
(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate 95+%
250mg
$ 246.00

Matrix Scientific
(2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate 95+%
1g
$ 538.00

Crysdot
(2S,4S)-tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate 95+%
5g
$ 201.00

ChemScene
(2S,4S)-Tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate >97.0%
5g
$ 205.00

ChemScene
(2S,4S)-Tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate >97.0%
1g
$ 75.00

Chemenu
(2S,4S)-tert-Butyl2-cyano-4-fluoropyrrolidine-1-carboxylate 95%
1g
$ 137.00

Total 38 raw suppliers

Chemical Property of (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate

Chemical Property:

Appearance/Colour:White crystalline powder
Melting Point:88-91°C
Refractive Index:1.472
Boiling Point:316.7 ºC at 760 mmHg
PKA:-7.30±0.60(Predicted)
Flash Point:145.4 ºC
PSA：53.33000
Density:1.15 g/cm³
LogP:1.79538
Storage Temp.:2-8°C
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:214.11175589
Heavy Atom Count:15
Complexity:302

Purity/Quality:

≥99% ^*data from raw suppliers

(2S,4S)-tert-Butyl2-Cyano-4-fluoropyrrolidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 43
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CC(CC1C#N)F
Isomeric SMILES:CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C#N)F

Technology Process of (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate

There total 2 articles about (2S,4S)-tert-Butyl 2-cyano-4-fluoropyrrolidine-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:

: 40216-83-9
L-4-hydroxyproline methyl ester hydrochloride

: 426844-76-0
tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1: sodium hydrogencarbonate / 1,4-dioxane; water / 24 h / 20 °C

2: diethylamino-sulfur trifluoride / dichloromethane / -78 - 20 °C / Inert atmosphere

3: lithium hydroxide monohydrate / 1,4-dioxane; water / 3 h / 20 °C

4: ammonium bicarbonate; pyridine / 1,4-dioxane / 6 h / 20 °C

5: 1,3,5-trichloro-2,4,6-triazine / N,N-dimethyl-formamide / 1 h / 20 °C

With pyridine; 1,3,5-trichloro-2,4,6-triazine; lithium hydroxide monohydrate; diethylamino-sulfur trifluoride; sodium hydrogencarbonate; ammonium bicarbonate; In 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2013.09.048

Reference yield:

: 203866-16-4
1-tert-butyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate

: 426844-76-0
tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: lithium hydroxide monohydrate / 1,4-dioxane; water / 3 h / 20 °C

2: ammonium bicarbonate; pyridine / 1,4-dioxane / 6 h / 20 °C

3: 1,3,5-trichloro-2,4,6-triazine / N,N-dimethyl-formamide / 1 h / 20 °C

With pyridine; 1,3,5-trichloro-2,4,6-triazine; lithium hydroxide monohydrate; ammonium bicarbonate; In 1,4-dioxane; water; N,N-dimethyl-formamide;
DOI:10.1016/j.bmc.2013.09.048