N-(4-Bromophenyl)formamide

Base Information

• Chemical Name: N-(4-Bromophenyl)formamide
• CAS No.: 2617-78-9
• Molecular Formula: C7H6 Br N O
• Molecular Weight: 200.035
• Hs Code.: 2924299090
• European Community (EC) Number: 623-863-0
• NSC Number: 1180
• UNII: E94N49UNV3
• DSSTox Substance ID: DTXSID40180794
• Nikkaji Number: J796.590G
• Wikidata: Q83051406
• Mol file: 2617-78-9.mol

Synonyms:N-(4-Bromophenyl)formamide;2617-78-9;Formamide, N-(4-bromophenyl)-;p-Bromoformanilide;4-Bromoformanilide;Formic acid p-bromophenylamide;FORMANILIDE, 4'-BROMO-;p-Bromfenylamid kyseliny mravenci;NSC 1180;BRN 2802372;p-Bromfenylamid kyseliny mravenci [Czech];E94N49UNV3;NSC-1180;Formamide, N-(4-bromophenyl)- (9CI);p-Brom-formanilid;para-Bromoformanilide;4-Bromophenylformamide;(4-bromophenyl)formamide;4-Bromophenylformamide #;UNII-E94N49UNV3;N-(4-Bromophenyl)-formamide;SCHEMBL515529;N-(4-bromo-phenyl)-formamide;N-FORMYL-4-BROMOANILINE;DTXSID40180794;NSC1180;N-(4-Bromophenyl)formamide, 97%;MFCD00021017;STK366698;AKOS005443023;LS-69646;CS-0336137;AE-641/02550056;J-016310;F2108-0262

Chemical Property of N-(4-Bromophenyl)formamide

Chemical Property:

• Vapor Pressure: 0.000129mmHg at 25°C
• Melting Point: 117-121 °C(lit.)
• Boiling Point: 334.3°Cat760mmHg
• PKA: 14.13±0.70(Predicted)
• Flash Point: 156°C
• PSA: 29.10000
• Density: 1.634g/cm³
• LogP: 2.72630
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.96328
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

97% ^*data from raw suppliers

N-(4-Bromo-phenyl)-formamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC=O)Br

Technology Process of N-(4-Bromophenyl)formamide

There total 51 articles about N-(4-Bromophenyl)formamide 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%

formic acid (64-18-6) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)formamide (2617-78-9)

Guidance literature:

In toluene; Reflux;

DOI:10.1021/ol502656g

Reference yield: 99.2%

4-bromo-aniline (106-40-1) → N-(4-bromophenyl)formamide (2617-78-9)

Guidance literature:

With formic acid; acetic anhydride; In tetrahydrofuran;

Reference yield: 99.0%

formamide (77287-34-4,77287-35-5,60100-09-6) + 4-bromo-aniline (106-40-1) → N-(4-bromophenyl)formamide (2617-78-9)

Guidance literature:

With air; at 150 ℃; for 24h; Sealed tube;

upstream raw materials:

N-bromo formanilide

N,N-dimethyl-formamide

4-bromo-aniline

formic acid

Downstream raw materials:

(4-bromo-phenyl)butylamine

thioformic acid-(4-bromo-anilide)

3-(4-bromophenyl)-4(3H)-quinazolinone

6-bromo-3-(4-bromo-phenyl)-3H-quinazolin-4-one

Refernces

• 1、 Oikawa, Masato,Ikoma, Minoru,Sasaki, Makoto. "Simultaneous accumulation of both skeletal and appendage-based diversities on tandem Ugi/Diels-Alder products". . p. 5863 - 5866. Retrieved 2005.
• 2、 Zhang, Fengcai,Sang, Xinpeng,Zhou, Yuqiao,Cao, Weidi,Feng, Xiaoming. "Enantioselective Synthesis of Azetidines through [3 + 1]-Cycloaddition of Donor-Acceptor Aziridines with Isocyanides". supporting information. p. 1513 - 1517. Retrieved 2022/03/01.
• 3、 Mali, Anil S.,Indalkar, Krishna,Chaturbhuj, Ganesh U.. "Solvent-free, Efficient Transamidation of Carboxamides with Amines Catalyzed by Recyclable Sulfated Polyborate Catalyst". . p. 369 - 378. Retrieved 2021/07/26.