Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate

Base Information

• Chemical Name: Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate
• CAS No.: 6669-79-0
• Molecular Formula: C13H11ClN2O2
• Molecular Weight: 282.342
• European Community (EC) Number: 668-689-6
• DSSTox Substance ID: DTXSID30410996
• Wikidata: Q82217410
• Mol file: 6669-79-0.mol

Synonyms:6669-79-0;Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate;pyridin-3-ylmethyl (3-chlorophenyl)carbamate;3-PYRIDYLMETHYL N-(3-CHLOROPHENYL)CARBAMATE;DTXSID30410996;AKOS024337199;21780-37-0

Chemical Property of Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate

Chemical Property:

• Vapor Pressure: 8.07E-06mmHg at 25°C
• Boiling Point: 374.9°C at 760 mmHg
• Flash Point: 180.5°C
• Density: 1.348g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 262.0509053
• Heavy Atom Count: 18
• Complexity: 276

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)NC(=O)OCC2=CN=CC=C2

Technology Process of Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate

There total 3 articles about Pyridin-3-ylmethyl N-(3-chlorophenyl)carbamate 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:

phenylmagnesium bromide → 2-benzoylphenanthrene (6669-79-0)

Guidance literature:

With diethyl ether; benzene; Behandeln bei Siedetemperatur; Hydrolyse des erhaltenen Phenyl--keton-imins;

DOI:10.1021/ja01306a051

Reference yield:

phenanthrene (85-01-8) + benzoyl chloride (98-88-4) → 2-benzoylphenanthrene (6669-79-0)

Guidance literature:

With aluminium trichloride; nitrobenzene;

DOI:10.1021/ja01306a051

Reference yield:

aluminium trichloride (7446-70-0) + phenanthrene (85-01-8) + benzoyl chloride (98-88-4) + nitrobenzene (98-95-3,26969-40-4) → [3]phenanthryl-phenyl ketone (6453-94-7) + 2-benzoylphenanthrene (6669-79-0) + 1-benzoylphenanthrene (6453-93-6)

Guidance literature:

DOI:10.1021/ja01306a051

upstream raw materials:

phenanthrene

benzoyl chloride

aluminium trichloride

nitrobenzene

Downstream raw materials:

phenanthrene-2-carboxylic acid

benzoic acid

α-(2-Phenanthryl)-benzylchlorid

(+/-)-Hydroxy-phenyl-(phenanthryl-⁽²⁾)-methan