N,4-Diphenylbutanamide

Base Information

• Chemical Name: N,4-Diphenylbutanamide
• CAS No.: 3056-71-1
• Molecular Formula: C16H17NO
• Molecular Weight: 239.317
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID201312640
• Nikkaji Number: J1.753.265K
• Mol file: 3056-71-1.mol

Synonyms:N,4-Diphenylbutanamide;4,N-diphenylbutyramide;N,4-diphenyl-butyramide;N-Phenylbenzenebutanamide;N,4-Diphenylbutanamide #;Cambridge id 5114896;Benzenebutanamide, N-phenyl-;Oprea1_026422;SCHEMBL8012743;DTXSID201312640;AKOS009158958;AN-652/11493418;SR-01000195916;SR-01000195916-1;3056-71-1

Chemical Property of N,4-Diphenylbutanamide

Chemical Property:

• PSA: 29.10000
• LogP: 3.72100
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 239.131014166
• Heavy Atom Count: 18
• Complexity: 240

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)NC2=CC=CC=C2

Technology Process of N,4-Diphenylbutanamide

There total 37 articles about N,4-Diphenylbutanamide 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: 100.0%

4-phenylbutanoyl iodide + aniline (62-53-3) → N-phenyl-4-phenylbutyramide (3056-71-1)

Guidance literature:

With carbon monoxide; C₂₁H₂₃Cl₃CuN₂O₂; sodium hydroxide; In 1,4-dioxane; at 70 ℃; under 3800.26 Torr;

DOI:10.1021/acs.orglett.9b04092

Reference yield: 99.0%

aniline (62-53-3) + 4-Phenylbutyric acid (1821-12-1) → N-phenyl-4-phenylbutyramide (3056-71-1)

Guidance literature:

With 3,4,5-trifluorophenylboronic acid; In 1,3,5-trimethyl-benzene; for 4h; Heating;

DOI:10.1021/jo9606564

Reference yield: 95.0%

N,N-dimethyl-4-phenylbutanamide (35256-93-0) + aniline (62-53-3) → N-phenyl-4-phenylbutyramide (3056-71-1)

Guidance literature:

With chloro-trimethyl-silane; 1,10-Phenanthroline; tungsten(VI) chloride; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 36h;

DOI:10.1021/acscatal.1c01840

upstream raw materials:

aniline

4-Phenylbutyric acid

1-(4-Phenylbutyryl)-1,3-diphenylurea

phenylbutyric acid chloride

Downstream raw materials:

1-(4-Phenylbutyryl)-1,3-diphenylurea

Refernces

• 1、 Feng, Fang-Fang,Liu, Xuan-Yu,Cheung, Chi Wai,Ma, Jun-An. "Tungsten-Catalyzed Transamidation of Tertiary Alkyl Amides". . p. 7070 - 7079. Retrieved 2021/06/30.
• 2、 Orsy, Gy?rgy,Fül?p, Ferenc,Mándity, István M.. "Direct amide formation in a continuous-flow system mediated by carbon disulfide". . p. 7814 - 7818. Retrieved 2020/12/28.