N-benzyl-4-chlorobenzamide

Base Information

• Chemical Name: N-benzyl-4-chlorobenzamide
• CAS No.: 7461-34-9
• Molecular Formula: C14H12ClNO
• Molecular Weight: 245.708
• Hs Code.: 2924299090
• European Community (EC) Number: 653-874-6
• NSC Number: 404951
• DSSTox Substance ID: DTXSID60323828
• Nikkaji Number: J393.008D
• Wikidata: Q82083074
• ChEMBL ID: CHEMBL1900655
• Mol file: 7461-34-9.mol

Synonyms:N-benzyl-4-chlorobenzamide;7461-34-9;N-benzyl-4-chloro-benzamide;MLS000756196;SMR000224634;NSC404951;4-Chloro-N-benzylbenzamide;cid_346668;N~1~-benzyl-4-chlorobenzamide;SCHEMBL5226231;CHEMBL1900655;BDBM90323;DTXSID60323828;HMS2744J06;4-chloro-N-(phenylmethyl)benzamide;MFCD00018682;STK059779;4-chloranyl-N-(phenylmethyl)benzamide;AKOS001721388;NSC 404951;NSC-404951;CS-0317211;EU-0084277;AD-276/30562007;SR-01000117014;SR-01000117014-1

Chemical Property of N-benzyl-4-chlorobenzamide

Chemical Property:

• Vapor Pressure: 1.17E-07mmHg at 25°C
• Boiling Point: 431.7°Cat760mmHg
• Flash Point: 214.9°C
• PSA: 29.10000
• Density: 1.213g/cm³
• LogP: 3.66090
• Water Solubility.: Soluble in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 245.0607417
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

99% ^*data from raw suppliers

N-Benzyl-4-chlorobenzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)Cl

Technology Process of N-benzyl-4-chlorobenzamide

There total 61 articles about N-benzyl-4-chlorobenzamide 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: 99.0%

benzylamine (100-46-9) + para-chlorobenzoic acid (74-11-3) → N-benzyl-p-chlorobenzamide (7461-34-9)

Guidance literature:

With Bromotrichloromethane; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine; In tetrahydrofuran; at 60 ℃; for 6h; Inert atmosphere;

DOI:10.1016/j.tet.2013.03.021

Reference yield: 98.0%

4-chlorobenzaldehyde (104-88-1) + benzylamine (100-46-9) → N-benzyl-p-chlorobenzamide (7461-34-9)

Guidance literature:

With 3-mesityl-4-methylthiazol-3-ium bis((trifluoromethyl)sulfonyl)imide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 60 ℃; Flow reactor; Electrochemical reaction;

DOI:10.1021/acs.orglett.6b00339

Reference yield: 97.0%

para-Chlorobenzyl alcohol (873-76-7) + benzylamine (100-46-9) → N-benzyl-p-chlorobenzamide (7461-34-9)

Guidance literature:

With C₄₉H₄₁N₄O₂P₂RuS⁽¹⁺⁾*NO₃^(1-); potassium tert-butylate; In toluene; at 120 ℃; for 12h; Green chemistry;

DOI:10.1016/j.ica.2015.12.024

upstream raw materials:

4-chlorobenzoyl azide

cyclohexane

benzylamine

para-chlorobenzoic acid

Downstream raw materials:

3-<4-(4-chlorobenzoyl)aminomethylbenzoyl>acrylic acid

benzaldehyde

4-chlorobenzamide

N-benzyl-2-(4-fluorophenyl)acetamide