tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate

Basic Information

View in Editor

CAS Number

22426-14-8

Molecular Formula

C12H7BrN2

Molecular Weight

259.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

161.0 to 165.0 deg-C

Boiling Point

414.3±25.0 °C at 760 mmHg

Flash Point

204.3±23.2 °C

Refractive Index

1.757

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

View in Editor

C1=CC2=C(C3=C(C=C2)C=CC(=N3)Br)N=C1

InChI

InChI=1S/C12H7BrN2/c13-10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10/h1-7H

InChIKey

ZRJUDAZGVGIDLP-UHFFFAOYSA-N

LogP

3.5455000000000014

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

234

Synonyms & References

English

MFCD13152102
DTXSID401310088
SY038336
AKOS015899602
J-508164
B4456
ZRJUDAZGVGIDLP-UHFFFAOYSA-N
22426-14-8
C12H7BrN2
2-Bromo-1 pound not10-phenanthroline
DS-12821
bromophenanthroline
SCHEMBL809383
1,10-Phenanthroline, 2-bromo-
FT-0706846
2-BROMO-1,10-PHENANTHROLINE
AMS_CNC_ID-458950314
SMSSF-0625492
BCP26109
CS-W004619
2-Bromo-1,10-phenanthroline
2-Bromo-1,10-phenathroline
RP29232
BC652129
ST2416492
AX8071425

MDL Number

MFCD13152102

FAQ

What are the physical and chemical properties of tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate (CAS: 22426-14-8)?

t-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate is a white to off-white crystalline solid with a molecular weight of approximately 287.34 g/mol. It is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. This compound is relatively stable but should be handled under standard organic lab conditions. It exhibits good reactivity in ester formation and can undergo typical organic reactions such as ester hydrolysis and reduction.

How is tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate (CAS: 22426-14-8) typically synthesized?

t-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate is typically synthesized via the esterification of 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylic acid with tert-butyl alcohol in the presence of a catalytic amount of a strong acid like trifluoroacetic acid (TFA). The reaction is usually carried out under mild conditions to ensure high selectivity and yield.

What industries use tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate (CAS: 22426-14-8)?

t-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate is used in various industries, particularly in pharmaceuticals for the synthesis of drugs and intermediates. It is also employed in the polymer industry for the development of new materials with specific properties. Additionally, it has applications in analytical chemistry as a reagent due to its functional groups.

What precautions should be taken when handling tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate (CAS: 22426-14-8)?

When handling tert-Butyl 1-(Furan-2-ylmethyl)pyrrolidine-2-carboxylate, it is crucial to use proper personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Ensure the work is conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always consult the safety data sheet (SDS) for detailed safety information and emergency procedures.