1-(4-Chlorophenyl)aziridine-2-carboxamide

Base Information

• Chemical Name: 1-(4-Chlorophenyl)aziridine-2-carboxamide
• CAS No.: 933453-52-2
• Molecular Formula: C₉H₉ClN₂O
• Molecular Weight: 196.636
• DSSTox Substance ID: DTXSID10699565
• Mol file: 933453-52-2.mol

Synonyms:1-(4-Chlorophenyl)aziridine-2-carboxamide;933453-52-2;DTXSID10699565

Chemical Property of 1-(4-Chlorophenyl)aziridine-2-carboxamide

Chemical Property:

• PSA: 47.09000
• LogP: 2.22860
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.0403406
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(N1C2=CC=C(C=C2)Cl)C(=O)N

Technology Process of 1-(4-Chlorophenyl)aziridine-2-carboxamide

There total 4 articles about 1-(4-Chlorophenyl)aziridine-2-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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + (+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile (79421-31-1) → methyl (R)-(+)-1-(4-chlorophenyl)aziridine-2-carboxylate + S-(-)-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2) + R-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2) + methyl (S)-1-(4-chlorophenyl)aziridine-2-carboxylate (4916-17-0)

Guidance literature:

(+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile; With potassium phosphate buffer; Rhodococcus erythropolis AJ₂₇₀ cells; at 30 ℃; for 0.5h; pH=7.0;

diazomethane; In diethyl ether; Title compound not separated from byproducts; cooling;

DOI:10.1021/jo062339v

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + (+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile (79421-31-1) → methyl (R)-(+)-1-(4-chlorophenyl)aziridine-2-carboxylate + S-(-)-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2) + R-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2) + methyl (S)-1-(4-chlorophenyl)aziridine-2-carboxylate (4916-17-0)

Guidance literature:

(+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile; With potassium phosphate buffer; Rhodococcus erythropolis AJ₂₇₀ cells; at 30 ℃; for 0.5h; pH=7.0;

diazomethane; In diethyl ether; Title compound not separated from byproducts; cooling;

DOI:10.1021/jo062339v

Reference yield:

(+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile (79421-31-1) → S-1-(4-chlorophenyl)aziridine-2-carboxylic acid + R-1-(4-chlorophenyl)aziridine-2-carboxylic acid + S-(-)-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2) + R-1-(4-chlorophenyl)aziridine-2-carboxamide (933453-52-2)

Guidance literature:

With potassium phosphate buffer; Rhodococcus erythropolis AJ₂₇₀ cells; at 30 ℃; for 0.5h; pH=7.0; Title compound not separated from byproducts;

DOI:10.1021/jo062339v

upstream raw materials:

diazomethane

(+/-)-1-(4-chlorophenyl)aziridine-2-carbonitrile

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