N-Cyclopropylformamide

Base Information

• Chemical Name: N-Cyclopropylformamide
• CAS No.: 58644-54-5
• Molecular Formula: C4H7NO
• Molecular Weight: 85.1057
• Hs Code.: 2924299090
• ChEMBL ID: CHEMBL49963
• DSSTox Substance ID: DTXSID90573112
• Nikkaji Number: J952.897K
• Wikidata: Q82461704
• Mol file: 58644-54-5.mol

Synonyms:N-cyclopropylformamide

Chemical Property of N-Cyclopropylformamide

Chemical Property:

• Boiling Point: 227.2±7.0 °C(Predicted)
• PKA: 16.19±0.20(Predicted)
• PSA: 29.10000
• Density: 1.04±0.1 g/cm3(Predicted)
• LogP: 0.92160
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 85.052763847
• Heavy Atom Count: 6
• Complexity: 58.6

Purity/Quality:

97% ^*data from raw suppliers

N-Cyclopropylformamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1NC=O
• Uses: Inhibitor of Human Alcohol Dehydrogenase enzyme.

Technology Process of N-Cyclopropylformamide

There total 6 articles about N-Cyclopropylformamide 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: 100.0%

Cyclopropylamine (765-30-0) + formic acid ethyl ester (109-94-4) → N-cyclopropylformamide (58644-54-5)

Guidance literature:

for 4h; Heating;

DOI:10.1021/jm00047a006

Reference yield: 99.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + Cyclopropylamine (765-30-0) → N-cyclopropylformamide (58644-54-5)

Guidance literature:

N,N-dimethyl-formamide; With bis(2-chlorophenyl)borinic acid; acetic acid; at 65 ℃; for 0.25h; Inert atmosphere;

Cyclopropylamine; at 65 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201600234

Reference yield: 88.0%

carbon dioxide (124-38-9,18923-20-1) + Cyclopropylamine (765-30-0) → N-cyclopropylformamide (58644-54-5)

Guidance literature:

With 1,3-dimethylbenzimidazolium-2-carboxylate; phenylsilane; In acetonitrile; at 25 ℃; for 24h; under 750.075 Torr; Catalytic behavior;

DOI:10.1039/d1gc01897c

upstream raw materials:

Cyclopropylamine

formic acid ethyl ester

formic acid

Methyl formate

Downstream raw materials:

cyclopropyl isocyanide

methylcyclopropylamine hydrochloride

benzylcyclopropylformamide

acetic acid (2S)-2-tert-butoxycarbonylamino-1-cyclopropylcarbamoylpentyl ester