Pyrrolidine-2,2,3,3,4,4,5,5-d8

Base Information

• Chemical Name: Pyrrolidine-2,2,3,3,4,4,5,5-d8
• CAS No.: 212625-79-1
• Molecular Formula: C₄H₉N
• Molecular Weight: 80.0507
• European Community (EC) Number: 693-181-6
• DSSTox Substance ID: DTXSID60479975
• Nikkaji Number: J1.606.746F
• Wikidata: Q82314399
• Mol file: 212625-79-1.mol

Synonyms:Pyrrolidine-2,2,3,3,4,4,5,5-d8;212625-79-1;pyrrolidine-d8;2,2,3,3,4,4,5,5-octadeuteriopyrrolidine;DEUTERATED PYRROLIDINE;Tetradeuteropyrrole;DTXSID60479975;(2,2,3,3,4,4,5,5-?H?)pyrrolidine;D98833;J-013957;2, 2, 3, 3, 4, 4, 5, 5-octadeuteriopyrrolidine;Pyrrolidine-2,2,3,3,4,4,5,5-d8, 98 atom % D

Chemical Property of Pyrrolidine-2,2,3,3,4,4,5,5-d8

Chemical Property:

• Vapor Pressure: 58.6mmHg at 25°C
• Boiling Point: 87-88 °C(lit.)
• Flash Point: 3 °C
• PSA: 12.03000
• Density: 0.946 g/mL at 25 °C
• LogP: 0.69860
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Sparingly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 79.123713259
• Heavy Atom Count: 5
• Complexity: 22.8

Purity/Quality:

99%, ^*data from raw suppliers

Pyrrolidine-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,C
• Hazard Codes: F,C
• Statements: 11-20/21/22-34-35-20/22
• Safety Statements: 16-23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCNC1
• Isomeric SMILES: [2H]C1(C(C(NC1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Uses: (Pyrrolidine-2,2,3,3,4,4,5,5-d8) Labelled analogue of Pyrrolidine, a heterocyclic compound used as a building block in the synthesis of wide range of pharmaceutical compounds, namely matrix metalloprotein inhibitors (MMPIs) and aminopeptidase N inhibitors (APNIs).

Technology Process of Pyrrolidine-2,2,3,3,4,4,5,5-d8

There total 1 articles about Pyrrolidine-2,2,3,3,4,4,5,5-d8 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:

1,4-diaminobutane (110-60-1) → pyrrolidine-d9 (212625-79-1)

Guidance literature:

With 5 wt% ruthenium/carbon; water-d2; aluminium; at 158 ℃;

DOI:10.1016/j.tet.2009.12.025

Reference yield: 78.0%

bis(m-bromophenyl)dimethylsilane (151238-31-2) + pyrrolidine-2,2,3,3,4,4,5,5-d8 (212625-79-1) → dimethylbis(3-(pyrrolidin-1-yl-d8)phenyl)silane

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; XPhos; In 1,4-dioxane; at 100 ℃; for 18h; Sealed tube; Inert atmosphere;

Reference yield:

pyrrolidine-2,2,3,3,4,4,5,5-d8 (212625-79-1) + 8,17-tetraethyl-7,18-dimethyl-12,13-diphenylazuliporphyrin → C48H38(2)H8N4

Guidance literature:

In chloroform-d1;

DOI:10.1021/jo0402531

upstream raw materials:

1,4-diaminobutane