Cisanilide

Base Information

• Chemical Name: Cisanilide
• CAS No.: 34484-77-0
• Molecular Formula: C₁₃H₁₈N₂O
• Molecular Weight: 218.299
• Hs Code.: 2933990090
• UNII: 42GBC6K1CC
• DSSTox Substance ID: DTXSID4041789
• Nikkaji Number: J124.940A
• Wikidata: Q27258539
• Mol file: 34484-77-0.mol

Synonyms:2,5-dimethyl-1-pyrrolidinecarboxanilide

Chemical Property of Cisanilide

Chemical Property:

• Vapor Pressure: 2.92E-06mmHg at 25°C
• Boiling Point: 389.1°Cat760mmHg
• PKA: 12.95±0.70(Predicted)
• Flash Point: 189.1°C
• PSA: 35.83000
• Density: 1.1g/cm³
• LogP: 3.04280
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 218.141913202
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(N1C(=O)NC2=CC=CC=C2)C
• Isomeric SMILES: C[C@@H]1CC[C@@H](N1C(=O)NC2=CC=CC=C2)C
• Uses: Cisanilide is a herbicide.

Technology Process of Cisanilide

There total 7 articles about Cisanilide 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:

2,5-Dimethylpyrrole (625-84-3) → 2r,5c-dimethyl-pyrrolidine-1-carboxylic acid anilide (34484-77-0)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous hydrochloric acid; zinc-powder

2: platinum; acetic acid / Hydrogenation

3: phenyl isocyanate

With hydrogenchloride; phenyl isocyanate; acetic acid; platinum; zinc;

DOI:10.1021/ja01155a069

Reference yield:

cis-2,5-dimethylpyrrolidine (1217794-57-4) → 2r,5c-dimethyl-pyrrolidine-1-carboxylic acid anilide (34484-77-0)

Guidance literature:

With phenyl isocyanate;

DOI:10.1021/ja01155a069

Reference yield:

trans-2,5-dimethylpyrrolidine (3378-71-0,39713-71-8,39713-72-9,62617-69-0,62617-70-3,117968-50-0) → (+/-)-2r,5t-dimethyl-pyrrolidine-1-carboxylic acid anilide (31163-31-2,34484-77-0,53594-32-4)

Guidance literature:

With phenyl isocyanate;

DOI:10.1021/ja01155a069

upstream raw materials:

cis-2,5-dimethylpyrrolidine

2,5-dimethyl-1-pyrroline

2,5-Dimethylpyrrole

trans-2,5-dimethylpyrrolidine