N-benzyl-2,2,2-trichloroacetamide

Base Information

• Chemical Name: N-benzyl-2,2,2-trichloroacetamide
• CAS No.: 4257-83-4
• Molecular Formula: C9H8Cl3NO
• Molecular Weight: 252.528
• Hs Code.: 2924299090
• European Community (EC) Number: 688-760-5
• Nikkaji Number: J1.020.326K
• Mol file: 4257-83-4.mol

Synonyms:N-benzyl-2,2,2-trichloroacetamide;n-phenethyl-2;benzyltrichloroacetamidate;4257-83-4;SCHEMBL181282;AKOS000344075;N-PHENETHYL-2,2,2-TRICHLOROACETAMIDE;Z56759017

Chemical Property of N-benzyl-2,2,2-trichloroacetamide

Chemical Property:

• PSA: 29.10000
• LogP: 3.06390
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 250.967147
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

N-BENZYL-2,2,2-TRICHLOROACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of N-benzyl-2,2,2-trichloroacetamide

There total 12 articles about N-benzyl-2,2,2-trichloroacetamide 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: 98.0%

benzylamine (100-46-9) + trichloroacetic acid anhydride (4124-31-6) → benzyl 2,2,2-trichloroacetamide (4257-83-4)

Guidance literature:

DOI:10.1071/CH15504

Reference yield: 92.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + trichloroacetamide (594-65-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → benzyl 2,2,2-trichloroacetamide (4257-83-4)

Guidance literature:

With boron trifluoride diethyl etherate; at 40 ℃; for 5h;

Reference yield: 76.0%

benzylamine (100-46-9) + trichloroacetic acid (76-03-9) → benzyl 2,2,2-trichloroacetamide (4257-83-4)

Guidance literature:

With bis(cyclopentadienyl)hafnium dichloride; In diethyl ether; at 26 ℃; for 48h; Molecular sieve;

DOI:10.1021/acscatal.5b00385

upstream raw materials:

N-benzyl-2,2,2-trichloroacetimidoyl chloride

1,1,1,3,3,3-hexachloro-propan-2-one

benzylamine

Ethyl trichloroacetate

Downstream raw materials:

methyl N-benzylcarbamate

l'ester methylique de l'acide N benzylhydroxamique

benzylamine

C₁₅H₂₀O₃

Refernces

• 1、 Lundberg, Helena,Adolfsson, Hans. "Hafnium-catalyzed direct amide formation at room temperature". . p. 3271 - 3277. Retrieved 2015/06/16.
• 2、 Nanda,Yadav. "Asymmetric synthesis of unnatural (Z,Z,E)-octadecatrienoid and eicosatrienoid by lipoxygenase-catalyzed oxygenation". . p. 1799 - 1806. Retrieved 2007/10/03.