Fentrazamide

Base Information

• Chemical Name: Fentrazamide
• CAS No.: 158237-07-1
• Molecular Formula: C16H20 Cl N5 O2
• Molecular Weight: 349.82
• European Community (EC) Number: 605-140-1
• UNII: 5HHK5TA5DD
• DSSTox Substance ID: DTXSID8057988
• Nikkaji Number: J924.131K
• Wikidata: Q22809052
• ChEMBL ID: CHEMBL2252193
• Mol file: 158237-07-1.mol

Synonyms:4-(2-chlorophenyl)-5-dihydrotetrazol-1-carboxylic acid cyclohexyl ethyl amide;fentrazamide

Chemical Property of Fentrazamide

Chemical Property:

• Vapor Pressure: 9.54E-08mmHg at 25°C
• Melting Point: 79ºC
• Boiling Point: 434.4 °C at 760 mmHg
• PKA: -1.03±0.20(Predicted)
• Flash Point: 216.5 °C
• PSA: 73.02000
• Density: 1.4 g/cm³
• LogP: 2.70510
• Storage Temp.: 0-6°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 349.1305526
• Heavy Atom Count: 24
• Complexity: 509

Purity/Quality:

99.9% ^*data from raw suppliers

Fentrazamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(C1CCCCC1)C(=O)N2C(=O)N(N=N2)C3=CC=CC=C3Cl
• Uses: Herbicide. Fentrazamide is a useful herbicide for proteomics research.

Technology Process of Fentrazamide

There total 5 articles about Fentrazamide 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:

1-(2-chlorophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one (98377-35-6) + N-cyclohexyl-N-ethyl-carbamoyl chloride (62899-75-6) → fentrazamide (158237-07-1)

Guidance literature:

With potassium carbonate; In acetonitrile;

Reference yield:

sodium salt of 1-(2-chloro-phenyl)-1,4-dihydro-5H-tetrazol-5-one + N-cyclohexyl-N-ethyl-carbamoyl chloride (62899-75-6) → fentrazamide (158237-07-1)

Guidance literature:

With sodium hydroxide; In methanol; 1,2-dimethoxyethane; water; ethyl acetate;

Reference yield:

1-(2-chloro-phenyl)-1,4-dihyro-5H-tetrazol-5-one + N-ethyl-cyclohexanamine (5459-93-8) → fentrazamide (158237-07-1)

Guidance literature:

In phosgene; chlorobenzene;

upstream raw materials:

N-ethyl-cyclohexanamine

1-(2-chlorophenyl)-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one

N-cyclohexyl-N-ethyl-carbamoyl chloride