476493-40-0

Basic information

• Product Name: 1-N-Boc-3-Cyanopyrrolidine
• Synonyms: TERT-BUTYL 3-CYANOPYRROLIDINE-1-CARBOXYLATE;3-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-N-BOC-3-CYANO-PYRROLIDINE;1-Boc-3-cyanopyrrolidine;N-1-BOC-3-CYANOPYRROLIDINE;N-Boc-3-cyanopyrrolidine;1,1-Dimethylethyl 3-cyano-1-pyrrolidinecarboxylate;1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
• CAS NO: 476493-40-0
• Molecular Formula: C₁₀H₁₆N₂O₂
• Molecular Weight: 196.25
• Product Categories: Pyrrole&Pyrrolidine&Pyrroline;Organic acids
• Mol File: 476493-40-0.mol

Chemical Properties

• Boiling Point: 307.9 °C at 760 mmHg
• Flash Point: 140 °C
• Appearance: /
• Density: 1.08 g/cm³
• Vapor Pressure: 0.000703mmHg at 25°C
• Refractive Index: 1.488
• Storage Temp.: 2-8°C
• PKA: -3.73±0.40(Predicted)
• CAS DataBase Reference: 1-N-Boc-3-Cyanopyrrolidine(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-Boc-3-Cyanopyrrolidine(476493-40-0)
• EPA Substance Registry System: 1-N-Boc-3-Cyanopyrrolidine(476493-40-0)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 476493-40-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-N-Boc-3-Cyanopyrrolidine is used as a synthetic intermediate for the preparation of aroyl-substituted pyrrolidines. These compounds exhibit monoamine reuptake inhibition activities, which are important for the development of medications targeting neurological and psychiatric disorders. The monoamine reuptake inhibition activity helps in modulating the levels of neurotransmitters such as serotonin, norepinephrine, and dopamine, thereby addressing the underlying imbalances in these conditions.

InChI:InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3

Upstream product

• 71999-74-1 tert-butyl N-(2-chloroethyl)carbamate 
• 107-13-1 acrylonitrile 
• 24424-99-5 di-tert-butyl dicarbonate 
• 773837-37-9 sodium cyanide 
• 141699-57-2 3-methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 101385-93-7 3-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester 
• 19158-51-1 P-toluenesulfonyl cyanide 
• 122684-35-9 1-tert-<(butyloxy)carbonyl>-3-(thiocarbamoyl)pyrrolidine 
• 788104-34-7 lithium cyanide 
• 103057-44-9 N-(tert-butoxycarbonyl)-3-hydroxypyrrolidine 
• 122684-34-8 1-tert-<(butyloxy)carbonyl>-3-carbamoylpyrrolidine 

Downstream Products

• 122684-35-9 1-tert-<(butyloxy)carbonyl>-3-(thiocarbamoyl)pyrrolidine 
• 1226495-49-3 tert-butyl 3-[(Z)-amino(hydroxyimino)methyl]pyrrolidine-1-carboxylate 
• 1229831-56-4 tert-butyl 3-cyano-3-(4-fluorobenzyl)pyrrolidine-1-carboxylate 
• 1054520-90-9 tert-butyl 4-(3-(1-(4-(methylsulfonyl)phenyl)pyrrolidin-3-yl)-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate 
• 1054521-82-2 (Z)-N'-hydroxy-1-(4-(methylsulfonyl)phenyl)pyrrolidine-3-carboximidamide 
• 270912-72-6 tert-butyl 3-(aminomethyl)pyrrolidine-1-carboxylate 
• 1228537-69-6 tert-butyl 3-cyano-3-methylpyrrolidine-1-carboxylate 
• 10603-53-9 racemic pyrrolidine-3-carbonitrile 
• 1054521-28-6 1-(4-(methylsulfonyl)phenyl)pyrrolidine-3-carbonitrile 

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