N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide

Base Information

• Chemical Name: N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
• CAS No.: 6132-45-2
• Molecular Formula: C23H21BrN2O2
• Molecular Weight: 211.174
• DSSTox Substance ID: DTXSID80367481
• Wikidata: Q82153358
• Mol file: 6132-45-2.mol

Synonyms:CBMicro_046929;SCHEMBL2862743;DTXSID80367481;N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide;STK245293;AKOS001083564;BIM-0046788.P001;Z57035570;N,N'-[(4-bromophenyl)methanediyl]bis(3-methylbenzamide);N-((4-BROMOPHENYL)((3-METHYLBENZOYL)AMINO)METHYL)-3-METHYLBENZAMIDE

Chemical Property of N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide

Chemical Property:

• Boiling Point: 645.1°Cat760mmHg
• Flash Point: 343.9°C
• Density: 1.346g/cm³
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 436.07864
• Heavy Atom Count: 28
• Complexity: 497

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)NC(C2=CC=C(C=C2)Br)NC(=O)C3=CC=CC(=C3)C

Technology Process of N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide

There total 12 articles about N-[(4-bromophenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide 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%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + diethyl dicarbonate (1609-47-8) → ethyl 4-nitrophenyl carbonate (6132-45-2)

Guidance literature:

With magnesium(II) perchlorate; at 40 ℃; for 1.5h;

DOI:10.1002/ejoc.200600366

Reference yield: 95.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + chloroformic acid ethyl ester (541-41-3) → ethyl 4-nitrophenyl carbonate (6132-45-2)

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃;

Reference yield: 86.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + ethyl 4,5-dichloro-6-oxopyridazine-1(6H)-carboxylate (17284-90-1) → ethyl 4-nitrophenyl carbonate (6132-45-2)

Guidance literature:

With potassium tert-butylate; In toluene; at 20 ℃; for 0.2h; Green chemistry;

DOI:10.1055/s-0035-1561411

upstream raw materials:

4-Ethoxycarbonyloxybenzoic acid

4-nitro-phenol

chloroformic acid ethyl ester

ethanol

Downstream raw materials:

4-nitro-phenol

ethyl N-benzylcarbamate

(4-methyl-benzyl)carbamic acid ethyl ester

N-[3-carbamoyl-4-[1-(4,5-dihydro-3H-pyrrol-2-yl)piperidin-4-yloxy]phenyl]-N-[3-[3-(ethoxycarbonylamino)(imino)methylphenyl]-2-(E)-propenyl]methanesulfonamide dihydrochloride

Refernces

• 1、 -. "PRODRUGS OF THE TYROSINE KINASE INHIBITOR FOR TREATING CANCER". Paragraph 00125-00126. . Retrieved 2021/03/05.
• 2、 Duan, Dongban,Fu, Qunfeng,Li, Hongyu,Liu, Zhibo,Ma, Huimin,Shen, Siyong,Wang, Changlun. "External-Radiation-Induced Local Hydroxylation Enables Remote Release of Functional Molecules in Tumors". supporting information. p. 21546 - 21552. Retrieved 2020/09/07.