Pyrrolidine-1-carboxamide

Base Information

• Chemical Name: Pyrrolidine-1-carboxamide
• CAS No.: 4736-71-4
• Molecular Formula: C5H10N2O
• Molecular Weight: 114.147
• Hs Code.: 2933998090
• European Community (EC) Number: 855-149-1
• NSC Number: 117254
• DSSTox Substance ID: DTXSID30197119
• Nikkaji Number: J410.772A
• Wikidata: Q83070085
• Metabolomics Workbench ID: 169098
• Mol file: 4736-71-4.mol

Synonyms:pyrrolidine-1-carboxamide;4736-71-4;1-Pyrrolidinecarboxamide;Pyrrolidine-1-carboxylic acid amide;pyrrolidine carboxamide;pyrroldineamide;pyrrolidineamide;pyrrolidine amide;NSC117254;pyrrolidine carboxarnide;SCHEMBL302276;SCHEMBL10517541;DTXSID30197119;LCDCPQHFCOBUEF-UHFFFAOYSA-N;HMS1783I03;MFCD00509172;AKOS000122433;NSC 117254;NSC-117254;PYRROLIDINE-1-CARBOXYLICACIDAMIDE;AS-32701;CS-0307716;FT-0710845;EN300-05627;A872175;Z56907605

Chemical Property of Pyrrolidine-1-carboxamide

Chemical Property:

• Vapor Pressure: 0.222mmHg at 25°C
• Boiling Point: 207.7°C at 760 mmHg
• Flash Point: 79.4°C
• PSA: 46.33000
• Density: 1.162g/cm³
• LogP: 0.79910
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 114.079312947
• Heavy Atom Count: 8
• Complexity: 96.6

Purity/Quality:

99% ^*data from raw suppliers

Pyrrolidine-1-carboxamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)N

Technology Process of Pyrrolidine-1-carboxamide

There total 16 articles about Pyrrolidine-1-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: 93.0%

N-carbamoyl-2-methoxypyrrolidine (103772-04-9) → N-pyrrolidinecarboxamide (4736-71-4)

Guidance literature:

With hydrogen; 10% palladium on active carbon; In methanol; at 20 ℃; for 0.5h;

DOI:10.1002/jlac.198219820905

Reference yield: 87.0%

pyrrolidine-1-carbonitrile (1530-88-7) → N-pyrrolidinecarboxamide (4736-71-4)

Guidance literature:

With hydrogenchloride;

Reference yield: 80.0%

pyrrolidine (123-75-1) + carbamic acid phenyl ester (622-46-8) → N-pyrrolidinecarboxamide (4736-71-4)

Guidance literature:

In 1,4-dioxane; at 20 ℃; for 16h;

upstream raw materials:

pyrrolidine

urea

sodium cyanide

pyrrolidine-1-carbonitrile

Downstream raw materials:

(2 R)-1-[(1-Methylcyclopropyl)methyl]-2-pyrrolidinecarboxamide

(2 R)-1-Cyclopentyl-2-pyrrolidinecarboxamide

n-benzoylpyrrolidine

1,3-diazepan-2-one

Refernces

• 1、 -. "TYK2 INHIBITORS AND USES THEREOF". Paragraph 00517. . Retrieved 2020/06/10.
• 2、 Christian, Alec H.,Jia, Shang,Cao, Wendy,Zhang, Patricia,Meza, Arismel Tena,Sigman, Matthew S.,Chang, Christopher J.,Toste, F. Dean. "A Physical Organic Approach to Tuning Reagents for Selective and Stable Methionine Bioconjugation". supporting information. p. 12657 - 12662. Retrieved 2019/09/04.