Pyrrolidine-3-carboxamide

Base Information

• Chemical Name: Pyrrolidine-3-carboxamide
• CAS No.: 471254-10-1
• Molecular Formula: C5H10N2O
• Molecular Weight: 114.1457
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID90591134
• Mol file: 471254-10-1.mol

Synonyms:pyrrolidine-3-carboxamide;471254-10-1;3-pyrrolidinecarboxamide;MFCD11849581;SCHEMBL715019;DTXSID90591134;IQHXABCGSFAKPN-UHFFFAOYSA-N;MFCD09037932;AKOS000197621;AKOS016842961;pyrrolidine-3-carboxamide, AldrichCPR;GS-4536;PB14988;PB16436;PB32691;SY008249;DB-072293;DB-352675;AM20100187;EN300-42781;A827155;J-502274;J-502524;J-513100

Chemical Property of Pyrrolidine-3-carboxamide

Chemical Property:

• Vapor Pressure: 0.000923mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 303.6 °C at 760 mmHg
• PKA: 16.50±0.20(Predicted)
• Flash Point: 137.4 °C
• PSA: 55.12000
• Density: 1.106 g/cm³
• LogP: 0.11030
• Storage Temp.: 2-8°C
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 114.079312947
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

98%min ^*data from raw suppliers

pyrrolidine-3-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC1C(=O)N

Technology Process of Pyrrolidine-3-carboxamide

There total 5 articles about Pyrrolidine-3-carboxamide 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: 85.0%

tert-butyl (3R)-3-cyano-1-pyrrolidinecarboxylate (132945-76-7) → (3R)-pyrrolidine-3-carboxamide (471254-10-1,848488-76-6)

Guidance literature:

With hydrogenchloride; water; In 1,4-dioxane; at 20 ℃; for 7h;

Reference yield: 49.0%

→ (3R)-pyrrolidine-3-carboxamide (471254-10-1,848488-76-6)

Guidance literature:

Reference yield:

(+)-(S)-3-carbamidopyrrolidine-1-carboxylic acid benzyl ester (573704-57-1) → (3S)-pyrrolidine-3-carboxamide (573704-64-0,471254-10-1,848488-76-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 3h; under 760 Torr;

DOI:10.1016/S0968-0896(03)00036-1

upstream raw materials:

(+)-(S)-3-carbamidopyrrolidine-1-carboxylic acid benzyl ester

(+)-(S)-3-cyanopyrrolidine-1-carboxylic acid benzyl ester

tert-butyl (3R)-3-cyano-1-pyrrolidinecarboxylate

Refernces

• 1、 -. "QUINAZOLINE DERIVATIVES". Page/Page column 118. . Retrieved 2008/06/13.